SCHEMBL5239102

SCHEMBL5239102

COc1ccc2c(c1)CCC(c1ccc(OC)c(C#N)c1OC)C2=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.45
CYP24A1 Q07973 6/20 0.43
CYP27A1 Q02318 3/20 0.43
CYP26A1 O43174 2/20 0.43
CYP19A1 P11511 1/20 0.43
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL903653 0.82 CYP24A1 (0.50) CYP24A1CYP27A1CYP26A1CYP19A1MAPK1
SCHEMBL5917029 0.82 CYP24A1 (0.50) CYP24A1CYP27A1CYP26A1CYP19A1MAPK1
SCHEMBL5240232 0.80 CYP24A1 (0.44) EGFRCYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL12698728 0.76 CYP24A1 (0.46) CYP24A1CYP27A1CYP26A1CYP19A1MAPK1
SCHEMBL903651 0.75 CYP26A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1
SCHEMBL5242273 0.74 EGFR (0.41) EGFRCYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL9422277 0.73 CYP24A1 (0.53) CYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL6669546 0.73 CYP24A1 (0.53) CYP24A1CYP27A1CYP26A1CYP19A1
SCHEMBL31053075 0.73 CYP24A1 (0.62) CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1
SCHEMBL22628601 0.73 CYP24A1 (0.62) CYP24A1CYP27A1CYP26A1CYP19A1ALDH1A1

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.