SCHEMBL3866950

SCHEMBL3866950

COCC1(O)CCC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.62
▸ SLC6A4 P31645 5/20 0.62
▸ CYP2C19 P33261 5/20 0.62
▸ LMNA P02545 5/20 0.62
▸ PGR P06401 4/20 0.62
▸ CYP3A4 P08684 4/20 0.62
▸ ABCB11 O95342 3/20 0.62
▸ ALOX15 P16050 2/20 0.62
▸ ADORA3 P0DMS8 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ AR P10275 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ TBXA2R P21731 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62

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
SCHEMBL13937138 1.00 ESR1 (0.62) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL2168891 0.82 ESR1 (0.59) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL13937137 0.81 LMNA (0.40) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL3866941 0.81 LMNA (0.40) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL11332158 0.81 ALOX15 (0.71) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL13918068 0.80 ESR1 (0.58) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL7753698 0.80 ESR1 (0.69) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL14702188 0.78 ABCB11 (0.70) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL3402721 0.78 ABCB11 (0.70) ESR1SLC6A4CYP2C19LMNAPGR
SCHEMBL14363178 0.78 ESR1 (0.77) ESR1SLC6A4CYP2C19LMNAPGR

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
EP-2027141-A1 11BETA-BENZALDOXIME DERIVATIVES OF D-HOMOOESTRA-4,9-DIEN-3-ONES Bayer Schering Pharma AG (DE) 2009-02-25 — — EP disclosed
US-7473709-B2 11β-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones BAYER SCHERING PHARMA AG (DE) 2009-01-06 — — US disclosed
US-20070149621-A1 11Beta-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US disclosed
WO-2007065726-A1 11β-BENZALDOXIME DERIVATIVES OF D-HOMOOESTRA-4,9-DIEN-3-ONES BAYER SCHERING PHARMA AG (DE) 2007-06-14 — — 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-20070149621-A1 11Beta-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones HSD17B13, HSD17B7, HSD17B11 ESR1 72/4885SLC6A4 3262/4885CYP2C19 100/4885

“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.

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