SCHEMBL6854620

SCHEMBL6854620

CNCCCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
SIGMAR1 Q99720 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18284382 1.00 EPHX1 (0.44) EPHX1SIGMAR1L3MBTL1
SCHEMBL2636109 1.00 EPHX1 (0.44) EPHX1SIGMAR1L3MBTL1
SCHEMBL6308810 0.86 EPHX1 (0.41) EPHX1SIGMAR1
SCHEMBL3874591 0.85 EPHX1 (0.39) EPHX1SIGMAR1
SCHEMBL6853834 0.83 EPHX1 (0.38) EPHX1SIGMAR1
SCHEMBL6849211 0.83 EPHX1 (0.38) EPHX1SIGMAR1
Hydrochloric Acid SCHEMBL4732516 0.82 EPHX1 (0.34) EPHX1SIGMAR1
SCHEMBL15013711 0.81 CES1 (0.37) EPHX1SIGMAR1
SCHEMBL15013688 0.81 EPHX1 (0.33) EPHX1SIGMAR1
SCHEMBL15013824 0.81 CES1 (0.37) EPHX1SIGMAR1

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-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
EP-1042355-A1 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 Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 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-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 EPHX1 409/4885SIGMAR1 718/4885L3MBTL1 3345/4885

“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.