SCHEMBL4587541

SCHEMBL4587541

[CH2]CC(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAOA P21397 1/20 0.41
HTR3A P46098 1/20 0.40

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
SCHEMBL3544754 0.94 SIGMAR1 (0.45) SIGMAR1MAOA
SCHEMBL9871271 0.85 EPHX1 (0.50) SIGMAR1MAOA
SCHEMBL6049243 0.81 EPHX1 (0.50) SIGMAR1MAOA
SCHEMBL11693551 0.81 TRPA1 (0.46) SIGMAR1PPARGPPARA
SCHEMBL8824531 0.80 SIGMAR1 (0.45) SIGMAR1MAOA
SCHEMBL7929689 0.80 CSNK1E (0.54)
SCHEMBL8673059 0.78 EPHX1 (0.43) SIGMAR1MAOA
SCHEMBL24108632 0.74 EPHX1 (0.48) SIGMAR1MAOA
SCHEMBL7085691 0.74 EPHX1 (0.48) SIGMAR1MAOA
SCHEMBL4423916 0.74 SIGMAR1 (0.44) SIGMAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375098-B2 8β-vinyl-11β-(ω-substituted)alkyl-estra-1,3,5(10)-trienes SCHERING A.G. (DE) 2008-05-20 US disclosed
EP-1622924-A2 8$G(B)-VINYL-11$G(B)-( G(V)-SUBSTITUTED)ALKYL-ESTRA-1,3,5(10)-TRIENES Schering Aktiengesellschaft (DE) 2006-02-08 EP disclosed
US-20050065135-A1 8beta-Vinyl-11beta-(omega-substituted)alkyl-estra-1,3,5(10)-trienes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-20050043314-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same EGIS GYOGYSZERGYAR RT. (HU) 2005-02-24 US disclosed
WO-2004094451-A2 8$G(B)-VINYL-11$G(B)-($G(V)-SUBSTITUTED)ALKYL-ESTRA-1,3,5(10)-TRIENES SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-04 WO disclosed
WO-2003043983-A1 PIPERAZINE DERIVATIVES DESTABILISING ANDROGEN RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-30 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 (2 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-20050043314-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same CYP2C19, CYP2D6, CYP3A5 SIGMAR1 220/4885PPARG 433/4885PPARA 718/4885
US-20050065135-A1 8beta-Vinyl-11beta-(omega-substituted)alkyl-estra-1,3,5(10)-trienes CYP19A1, HSD17B11, ESR2 SIGMAR1 1265/4885PPARG 152/4885PPARA 101/4885

“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.