SCHEMBL962403

SCHEMBL962403

COC(=O)CC[C@@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HRH3 Q9Y5N1 11/20 0.49
▸ STS P08842 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL962405 1.00 MAPT (0.54) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL962193 0.93 USP2 (0.56) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL16384615 0.93 USP2 (0.56) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL962194 0.93 USP2 (0.56) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL217619 0.89 USP2 (0.55) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL217620 0.89 USP2 (0.55) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL217502 0.88 USP2 (0.52) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL217503 0.88 USP2 (0.52) MAPTUSP2MAPK1KDM4EALDH1A1
SCHEMBL16384493 0.88 LMNA (0.57) MAPTKDM4EALDH1A1HRH3STS
SCHEMBL2738503 0.88 USP2 (0.56) MAPTUSP2MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435973-B2 17-beta HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2013-05-07 — — US disclosed
US-8435973-B2 17-beta HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2013-05-07 — — US disclosed
US-8435973-B2 17-beta HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2013-05-07 — — US disclosed
US-8288367-B2 Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one SOLVAY PHARMACEUTICALS GMBH (DE) 2012-10-16 — — US disclosed
US-8288367-B2 Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one SOLVAY PHARMACEUTICALS GMBH (DE) 2012-10-16 — — US disclosed
EP-1888615-B1 17 -HSD1 AND STS INHIBITORS ABBOTT PRODUCTS GMBH (DE) 2012-05-16 — — EP disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 — — US disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 — — US disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 — — US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 — — US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 — — US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 — — US disclosed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — US disclosed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — US disclosed
WO-2008065100-A1 SUBSTITUTED ESTRATRIEN DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-06-05 — — WO disclosed
EP-1888615-A1 17 -HSD1 AND STS INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2008-02-20 — — EP disclosed
US-20060281710-A1 17SS-HSD1 and STS inhibitors SOLVAY PHARMACEUTICALS GMBH 2006-12-14 — — US disclosed
WO-2006125800-A1 17β-HSD1 AND STS INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2006-11-30 — — 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 (3 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-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS HSD17B11, HSD17B1, HSD17B2 MAPT 2263/4885USP2 735/4885MAPK1 2279/4885
US-20060281710-A1 17SS-HSD1 and STS inhibitors HSD17B11, HSD17B1, STS MAPT 3497/4885USP2 2173/4885MAPK1 1829/4885
US-20110021480-A1 17-beta HSD1 and STS Inhibitors STS, HSD17B11, HSD17B1 MAPT 3533/4885USP2 1964/4885MAPK1 1519/4885

“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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