SCHEMBL20437692

SCHEMBL20437692

c1ccc2c(c1)-c1ccccc1C21c2cc3[nH]c4ccccc4c3cc2-c2cccc3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
PGR P06401 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GPR3 P46089 1/20 0.37
KIF11 P52732 11/20 0.36
TOP2A P11388 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
BCHE P06276 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
CASP1 P29466 2/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 1/20 0.33
CASP7 P55210 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20438144 0.95 AHR (0.44) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL20437689 0.90 AHR (0.41) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL802247 0.89 AHR (0.55) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL802805 0.89 AHR (0.55) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL30487042 0.89 AHR (0.55) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL21217586 0.88 AHR (0.47) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL20199486 0.87 AHR (0.53) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL20437694 0.84 AHR (0.44) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL23231541 0.83 AHR (0.42) AHRPGRALDH1A1HSD17B10GPR3
SCHEMBL2603647 0.83 AHR (0.55) AHRPGRALDH1A1HSD17B10GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10964894-B2 Carbazole derivatives MERCK PATENT GMBH (DE) 2021-03-30 US disclosed
US-20190348616-A1 CARBAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-14 US disclosed
WO-2018138039-A1 CARBAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-02 WO 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-20190348616-A1 CARBAZOLE DERIVATIVES CYP2E1, CYP3A4, CYP2C19 AHR 140/4885PGR 3036/4885ALDH1A1 425/4885
US-10964894-B2 Carbazole derivatives CYP2E1, CYP3A4, CYP2C19 AHR 140/4885PGR 3036/4885ALDH1A1 425/4885

“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.