SCHEMBL21787935

SCHEMBL21787935

CC(C)Oc1ccc(CSC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
GAA P10253 2/20 0.57
CYP2D6 P10635 1/20 0.57
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A3 P47895 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.40
PARP10 Q53GL7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RX3 P56373 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
KDM4A O75164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12510871 0.82 EPHX1 (0.44) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL6571608 0.82 SLC6A4 (0.52) GAACYP3A4ALDH1A1
SCHEMBL22199500 0.82 CYP1A2 (0.59) CYP1A2CYP2C19GAACYP2D6RAB9A
SCHEMBL21788136 0.78 CYP2C19 (0.56) CYP2C19POLBCYP2C9ALDH1A1LMNA
SCHEMBL2092283 0.77 POLB (0.55) CYP1A2CYP2C19GAACYP2D6RAB9A
SCHEMBL14449300 0.76 POLB (0.59) CYP1A2CYP2C19GAACYP2D6RAB9A
SCHEMBL26788292 0.76 CYP1A2 (0.53) CYP1A2CYP2C19GAACYP2D6RAB9A
SCHEMBL125543 0.75 ALDH1A3 (0.64) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL8163509 0.74 CYP1A2 (0.64) CYP1A2CYP2C19GAACYP2D6RAB9A
SCHEMBL805120 0.74 POLB (0.57) CYP1A2CYP2C19GAACYP2D6RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-10-10 US disclosed
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-10-10 US disclosed
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US disclosed
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US disclosed
US-20230165931-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-06-01 US disclosed
US-20230165930-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-06-01 US disclosed
US-20230149502-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-18 US disclosed
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 US disclosed
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-11129910-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-09-28 US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 US disclosed
US-20210052747-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-02-25 US disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 US disclosed
US-20200215206-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2020-07-09 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210052747-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH CYP1A2 3585/4885CYP2C19 3093/4885GAA 2416/4885
US-20230165930-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, CD2BP2, TEK CYP1A2 4877/4885CYP2C19 4693/4885GAA 2128/4885
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CYP1A2 1116/4885CYP2C19 1661/4885GAA 1488/4885
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA CYP1A2 4767/4885CYP2C19 4855/4885GAA 779/4885
US-20230165931-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, CD2BP2, CD4 CYP1A2 4860/4885CYP2C19 4632/4885GAA 2176/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CYP1A2 1116/4885CYP2C19 1661/4885GAA 1488/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CYP1A2 1116/4885CYP2C19 1661/4885GAA 1488/4885
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 CYP1A2 4695/4885CYP2C19 4553/4885GAA 2475/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B CYP1A2 2432/4885CYP2C19 2446/4885GAA 3636/4885
US-11129910-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH CYP1A2 3585/4885CYP2C19 3093/4885GAA 2416/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CYP1A2 1116/4885CYP2C19 1661/4885GAA 1488/4885
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 CYP1A2 4609/4885CYP2C19 4677/4885GAA 759/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 CYP1A2 4865/4885CYP2C19 4648/4885GAA 2136/4885
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH CYP1A2 3585/4885CYP2C19 3093/4885GAA 2416/4885
US-20200215206-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH CYP1A2 3585/4885CYP2C19 3093/4885GAA 2416/4885
US-20230149502-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, CD2BP2, TEK CYP1A2 4877/4885CYP2C19 4693/4885GAA 2128/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 CYP1A2 4102/4885CYP2C19 4151/4885GAA 3556/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.