SCHEMBL5828036

SCHEMBL5828036

O=Cc1ccc2cc(-c3cc4c(c(-c5cccnc5)c3)OOC4)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.43
CYP11B1 P15538 11/20 0.43
CYP19A1 P11511 7/20 0.43
CYP17A1 P05093 4/20 0.43
ERN1 O75460 2/20 0.42
CYP1A2 P05177 1/20 0.38
TTK P33981 1/20 0.38
ABL1 P00519 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL5827840 0.80 ERN1 (0.42) CYP11B2CYP11B1CYP19A1CYP17A1ERN1
SCHEMBL5828259 0.76 CYP2A6 (0.31)
SCHEMBL14077378 0.67 TRIM24 (0.49) CYP11B2CYP11B1ERN1NPC1PGR
SCHEMBL16381826 0.66 ESR1 (0.52) NPC1PGR
SCHEMBL14077377 0.66 ESR1 (0.52) NPC1PGR
SCHEMBL5828240 0.66 ALDH1A1 (0.40) CYP19A1ERN1CYP1A2
Bicarbonate SCHEMBL8750617 0.66 TRIM24 (0.56) ERN1
SCHEMBL26260198 0.65 CYP11B2 (0.88) CYP11B2CYP11B1CYP19A1CYP17A1ERN1
SCHEMBL19737563 0.64 TTK (0.49) CYP11B2CYP11B1CYP19A1CYP17A1ERN1
SCHEMBL958907 0.64 ERN1 (0.57) CYP11B2CYP11B1CYP19A1CYP17A1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP disclosed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (1 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-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR CYP11B2 52/4885CYP11B1 31/4885CYP19A1 468/4885

“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.