SCHEMBL960253

SCHEMBL960253

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.73
ESR2 Q92731 6/20 0.73
LMNA P02545 4/20 0.73
HIF1A Q16665 3/20 0.73
SHBG P04278 3/20 0.73
PGR P06401 3/20 0.73
SERPINA6 P08185 3/20 0.73
AR P10275 3/20 0.73
SLC6A4 P31645 3/20 0.73
SNCA P37840 3/20 0.73
SLC6A3 Q01959 3/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
NR3C1 P04150 2/20 0.73
PTGS1 P23219 1/20 0.73
OR51E2 Q9H255 1/20 0.73
UGT1A10 Q9HAW8 1/20 0.73
HSD17B10 Q99714 4/20 0.65
STS P08842 3/20 0.65
TSHR P16473 2/20 0.65

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
SCHEMBL960251 1.00 ESR1 (0.73) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL2001122 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL223196 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL7004654 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL13123063 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL23743979 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL223226 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Epiestriol SCHEMBL221084 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL4896486 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG
Estriol SCHEMBL14373308 0.85 ESR1 (1.00) ESR1ESR2LMNAHIF1ASHBG

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 10 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
CN-102796160-A 17ss-hsd1 and sts inhibitors SOLVAY PHARM GMBH 2012-11-28 CN disclosed
CN-101189251-B 17 beta-HSD 1 and STS inhibitors SOLVAY PHARM BV 2012-09-12 CN 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-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 US disclosed
CN-101189251-A 17 beta-HSD 1 and STS inhibitors SOLVAY PHARM GMBH (DE) 2008-05-28 CN 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 (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-20060281710-A1 17SS-HSD1 and STS inhibitors HSD17B11, HSD17B1, STS ESR1 88/4885ESR2 72/4885LMNA 3667/4885
US-20110021480-A1 17-beta HSD1 and STS Inhibitors STS, HSD17B11, HSD17B1 ESR1 206/4885ESR2 110/4885LMNA 3074/4885

“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.