SCHEMBL22199500

SCHEMBL22199500

CSCc1ccc(OC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
GAA P10253 1/20 0.59
CYP2D6 P10635 1/20 0.59
POLB P06746 1/20 0.52
RAB9A P51151 2/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
P2RX3 P56373 1/20 0.44
ALDH1A3 P47895 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP10 Q53GL7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL21787935 0.82 CYP1A2 (0.57) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL2092283 0.78 POLB (0.55) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL14449300 0.78 POLB (0.59) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL3358178 0.78 ST14 (0.43) RAB9ACYP3A4LMNAALDH1A1KMT2A
SCHEMBL5209430 0.76 MAPT (0.44) CYP1A2CYP2C19CYP2D6RAB9ACYP3A4
SCHEMBL125543 0.76 ALDH1A3 (0.64) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL8163509 0.76 CYP1A2 (0.64) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL805120 0.76 POLB (0.57) CYP1A2CYP2C19GAACYP2D6POLB
SCHEMBL1145768 0.76 IDO1 (0.57) CYP3A4ALDH1A1TP53SMN1; SMN2
SCHEMBL13735220 0.75 ALDH1A3 (0.59) CYP1A2CYP2C19GAACYP2D6POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 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-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-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

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

For each of this compound's patents that has machine-readable text (4 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-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER TLR9, TLR8, TLR7 CYP1A2 4130/4885CYP2C19 4531/4885GAA 1766/4885
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA CYP1A2 4767/4885CYP2C19 4855/4885GAA 779/4885
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-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

“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.