SCHEMBL6849201

SCHEMBL6849201

C[C@]12C[C@H](F)[C@H]3[C@@H]([C@H](CCCCCCCCCCl)CC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.40
AR P10275 1/20 0.36
ESR1 P03372 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
SCHEMBL6853911 1.00 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL13809850 1.00 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL13804521 1.00 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL4001776 1.00 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL3999426 1.00 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL6854222 0.90 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL6852290 0.90 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL6852404 0.89 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL6853763 0.89 CYP19A1 (0.40) CYP19A1ARESR1
SCHEMBL6912936 0.86 CYP19A1 (0.37) CYP19A1ARESR1

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-6780855-B2 TREATING A PATIENT SUFFERING FROM AN ESTROGEN DEPENDENT-DISEASE SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-10 US disclosed
EP-1042355-B1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-02-12 EP 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-20030069434-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS CYP19A1, HSD17B11, NR5A1 CYP19A1 1/4885AR 159/4885ESR1 15/4885

“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.