SCHEMBL5319795

SCHEMBL5319795

COc1ccc2c(c1)C(=O)C(c1cc(OC)cc(C#N)c1OC)CC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
METAP1 P53582 1/20 0.38
MTNR1A P48039 3/20 0.37
SRD5A1 P18405 2/20 0.37
MTNR1B P49286 2/20 0.36
CYP11B1 P15538 1/20 0.36
CHRNA7 P36544 1/20 0.36
NQO2 P16083 1/20 0.35

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 0.91 CYP24A1 (0.44) CYP19A1NPC1RAB9AMETAP1SRD5A1
SCHEMBL5242273 0.84 EGFR (0.41) CYP19A1NPC1RAB9AMETAP1
SCHEMBL5238881 0.78 ALK (0.38) CYP19A1ACHENPC1RAB9AMETAP1
SCHEMBL5239102 0.71 EGFR (0.45) CYP19A1
SCHEMBL11237837 0.71 CYP19A1 (0.61) CYP19A1ACHEMETAP1MTNR1AMTNR1B
SCHEMBL7513546 0.71 ACHE (0.55) CYP19A1ACHENPC1RAB9AMETAP1
SCHEMBL5237018 0.70 ACHE (0.71) CYP19A1ACHEMETAP1
SCHEMBL5237022 0.70 ACHE (0.71) CYP19A1ACHEMETAP1
SCHEMBL5237012 0.70 ACHE (0.71) CYP19A1ACHEMETAP1
SCHEMBL903653 0.69 CYP24A1 (0.50) CYP19A1

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 CYP19A1 18/4885ACHE 2610/4885NPC1 2911/4885

“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.