SCHEMBL21788136

SCHEMBL21788136

CCOc1ccc(CSC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
NQO1 P15559 1/20 0.54
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
LTA4H P09960 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ACE P12821 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40

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 0.81 EPHX1 (0.44) CYP2C19SMN1; SMN2ALDH1A1POLBCYP2C9
SCHEMBL6571608 0.80 SLC6A4 (0.52) SMN1; SMN2ALDH1A1TSHRLTA4HL3MBTL1
SCHEMBL6580484 0.79 NQO1 (0.64) CYP2C19SMN1; SMN2ALDH1A1POLBCYP2C9
SCHEMBL21787935 0.78 CYP1A2 (0.57) CYP2C19ALDH1A1POLBCYP2C9KMT2A
SCHEMBL23900923 0.76 NQO1 (0.58) CYP2C19SMN1; SMN2ALDH1A1POLBCYP2C9
SCHEMBL27586168 0.76 NQO1 (0.58) CYP2C19SMN1; SMN2ALDH1A1POLBCYP2C9
SCHEMBL5018760 0.74 NQO1 (0.61) NQO1TSHRTDP1ACACB
1,4-Diethoxybenzene SCHEMBL124015 0.73 NQO1 (1.00) SMN1; SMN2ALDH1A1POLBNQO1TSHR
1,4-Diethoxybenzene SCHEMBL28186701 0.73 NQO1 (1.00) SMN1; SMN2ALDH1A1POLBNQO1TSHR
SCHEMBL21186074 0.73 EPHX1 (0.39) CYP2C19SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 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 (2 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 CYP2C19 1661/4885SMN1; SMN2 1688/4885ALDH1A1 1130/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 CYP2C19 4151/4885SMN1; SMN2 4335/4885ALDH1A1 3405/4885

“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.