SCHEMBL5242273

SCHEMBL5242273

COc1ccc2c(c1)CCCC(c1cc(OC)cc(C#N)c1OC)C2=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
CYP24A1 Q07973 6/20 0.40
CYP27A1 Q02318 3/20 0.40
CYP26A1 O43174 2/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.38
METAP1 P53582 1/20 0.37
GID4 Q8IVV7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5240232 0.93 CYP24A1 (0.44) EGFRCYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL5319795 0.84 CYP19A1 (0.44) CYP19A1METAP1NPC1RAB9A
SCHEMBL12698728 0.80 CYP24A1 (0.46) CYP24A1CYP27A1CYP26A1CYP19A1KDM4E
SCHEMBL15028655 0.79 CYP24A1 (0.47) CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1
SCHEMBL16567983 0.79 MAOA (0.48) EGFRCYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL5238881 0.78 ALK (0.38) EGFRCYP19A1KDM4EALDH1A1GLA
SCHEMBL3654990 0.76 CYP24A1 (0.48) CYP24A1CYP27A1CYP26A1CYP19A1KDM4E
SCHEMBL13885522 0.76 CYP24A1 (0.48) CYP24A1CYP27A1CYP26A1CYP19A1KDM4E
SCHEMBL15263331 0.75 CYP24A1 (0.51) CYP24A1CYP27A1CYP26A1CYP19A1KDM4E
SCHEMBL9995710 0.74 MAPK14 (0.47) CYP24A1CYP27A1CYP26A1CYP19A1NPC1

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
EP-1761513-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS Wyeth (US) 2007-03-14 EP disclosed
WO-2006007503-A1 TETRACYCLIC COMPOUNDS AS ESTROGEN LIGANDS WYETH (US) 2006-01-19 WO disclosed
US-20060004087-A1 Tetracyclic compounds as estrogen ligands WYETH (US) 2006-01-05 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 (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-20060004087-A1 Tetracyclic compounds as estrogen ligands ESR1, ESRRA, ESR2 EGFR 30/4885CYP24A1 609/4885CYP27A1 2714/4885

“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.