SCHEMBL20437694

SCHEMBL20437694

CC1(C)c2cc3[nH]c4ccccc4c3cc2-c2cccc3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
PGR P06401 1/20 0.43
KIF11 P52732 8/20 0.39
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GPR3 P46089 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TOP2A P11388 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL20437690 0.95 AHR (0.44) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL29506376 0.86 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL31680 0.86 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL802645 0.86 AHR (0.59) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL21217609 0.85 AHR (0.50) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL20437692 0.84 AHR (0.44) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL20437689 0.82 AHR (0.41) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL18351619 0.82 AHR (0.53) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL15434241 0.81 AHR (0.46) AHRPGRKIF11ALDH1A1HSD17B10
SCHEMBL31619 0.80 AHR (0.52) AHRPGRKIF11ALDH1A1HSD17B10

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 3036/4885KIF11 2810/4885
US-10964894-B2 Carbazole derivatives CYP2E1, CYP3A4, CYP2C19 AHR 140/4885PGR 3036/4885KIF11 2810/4885

“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.