SCHEMBL6849263

SCHEMBL6849263

OCCCCCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL879892 1.00 LMNA (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2637189 1.00 LMNA (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6852245 1.00 LMNA (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8671685 1.00 LMNA (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL864384 0.97 SMN1; SMN2 (0.32) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL338407 0.94 SMN1; SMN2 (0.33) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2245008 0.87 GAA (0.39) MEN1KMT2ATSHRCYP4F2CYP4A11
SCHEMBL2780201 0.85
SCHEMBL10551402 0.84 LMNA (0.32) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2095644 0.84 LMNA (0.32) LMNAALDH1A1HSD17B10MEN1KMT2A

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 8 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-6677324-B1 MIXTURE INCLUDES 7A-(E-AMINOALKYL)-ESTRATRIENE; HORMONE REPLACEMENT THERAPY; MENOPAUSE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 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-1054676-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 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-1999042109-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-26 WO 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 LMNA 4408/4885ALDH1A1 145/4885HSD17B10 139/4885

“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.