SCHEMBL4620745

SCHEMBL4620745

C=CCC1=C2c3ccccc3CC[C@H]2[C@@H]2CCC[C@@]2(C)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.32
SHBG P04278 1/20 0.32
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL7179498 0.82 NR5A1 (0.34)
SCHEMBL978478 0.69 SHBG (0.36) SHBGDRD2HTR2AHTR2CHTR2B
SCHEMBL11134426 0.61 HTR1A (0.38) HSD17B1SHBGHTR1A
SCHEMBL11228428 0.61 HTR1A (0.38) HSD17B1SHBGHTR1A
SCHEMBL13725675 0.59 SHBG (0.70) HSD17B1SHBGHTR2B
SCHEMBL30887214 0.59 SHBG (0.70) HSD17B1SHBGHTR2B
SCHEMBL29446097 0.59 SHBG (0.70) HSD17B1SHBGHTR2B
SCHEMBL11096655 0.59 SHBG (0.70) HSD17B1SHBGHTR2B
SCHEMBL975788 0.59 SHBG (0.70) HSD17B1SHBGHTR2B
SCHEMBL8038167 0.58 SHBG (0.40) SHBG

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 4 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
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

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-20050065135-A1 8beta-Vinyl-11beta-(omega-substituted)alkyl-estra-1,3,5(10)-trienes CYP19A1, HSD17B11, ESR2 HSD17B1 14/4885SHBG 12/4885HTR1A 584/4885

“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.