SCHEMBL218764

SCHEMBL218764

COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@@H](CC(=O)O)CC(=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.60
▸ HSD17B1 P14061 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.52
▸ ESR1 P03372 3/20 0.52
▸ STS P08842 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ABCC4 O15439 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ABCC1 P33527 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ PGR P06401 1/20 0.48

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
SCHEMBL218765 1.00 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738546 1.00 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738536 0.91 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216027 0.90 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216028 0.90 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL19226865 0.90 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738507 0.89 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219285 0.89 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10269454 0.89 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216878 0.89 LMNA (0.56) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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 16 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-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-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — 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
EP-2099814-A1 SUBSTITUTED ESTRATRIEN DERIVATIVES AS 17BETA HSD INHIBITORS Solvay Pharmaceuticals GmbH (DE) 2009-09-16 — — EP disclosed
US-20080255075-A1 SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-16 — — US disclosed
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP 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
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia SOLVAY PHARMACEUTICALS GMBH (DE) 2005-09-01 — — US 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 (4 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 LMNA 3172/4885HSD17B1 2/4885MAPT 2263/4885
US-20050192263-A1 3,15-substituted estrone compounds; treatment of steroid hormone dependent diseases such as breast cancer, colon cancer, endometriosis, benign prostatic hyperplasia HSD17B11, HSD17B1, HSD17B3 LMNA 2693/4885HSD17B1 2/4885MAPT 3025/4885
US-20060281710-A1 17SS-HSD1 and STS inhibitors HSD17B11, HSD17B1, STS LMNA 3667/4885HSD17B1 2/4885MAPT 3497/4885
US-20110021480-A1 17-beta HSD1 and STS Inhibitors STS, HSD17B11, HSD17B1 LMNA 3074/4885HSD17B1 3/4885MAPT 3533/4885

“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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