SCHEMBL3020847

SCHEMBL3020847

Oc1ccc(-c2ccc3c(O)cccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 1.00
HSD17B2 P37059 10/20 1.00
ESR1 P03372 10/20 1.00
ESR2 Q92731 9/20 1.00
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PLAU P00749 1/20 0.55

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
SCHEMBL444105 0.92 HSD17B1 (0.84) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL10865716 0.88 HSD17B1 (0.79) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL14417357 0.88 HSD17B1 (0.79) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL3010784 0.86 ESR1 (1.00) HSD17B1HSD17B2ESR1ESR2
SCHEMBL14417405 0.85 HSD17B1 (0.73) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL14417404 0.84 HSD17B1 (0.72) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL21071005 0.83 HSD17B1 (0.76) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL29738652 0.83 HSD17B1 (0.70) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL15451 0.83 HSD17B1 (0.70) HSD17B1HSD17B2ESR1ESR2PLAU
SCHEMBL29364213 0.83 HSD17B1 (0.70) HSD17B1HSD17B2ESR1ESR2PLAU

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 WO claimed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 US claimed
CN-101321524-A Novel uses for estrogen beta agonists WYETH CORP (US) 2008-12-10 CN claimed
EP-1824478-A2 NOVEL USES FOR ESTROGEN BETA AGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-29 EP claimed
WO-2006065968-A2 THE USES OF ESTROGEN BETA AGONISTS TO TREAT COGNITIVE DISEASES WYETH (US) 2006-06-22 WO claimed
US-20060135574-A1 Novel uses for estrogen beta agonists WYETH (US) 2006-06-22 US claimed
CN-1738788-A Substituted phenylnaphthalenes as estrogenic agents WYETH CORP (US) 2006-02-22 CN claimed
US-6914074-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2005-07-05 US claimed
EP-1453782-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-08 EP claimed
US-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents WYETH 2003-09-25 US claimed
WO-2003051805-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 WO claimed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-6914074-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2005-07-05 US disclosed
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents MEWSHAW RICHARD E (US) 2004-11-11 US disclosed
EP-1453782-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-08 EP disclosed
US-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents WYETH 2003-09-25 US disclosed
WO-2003051805-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 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 (5 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-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA HSD17B1 160/4885HSD17B2 155/4885ESR1 2/4885
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 HSD17B1 1/4885HSD17B2 3/4885ESR1 229/4885
US-20060135574-A1 Novel uses for estrogen beta agonists GPER1, ESR2, ESR1 HSD17B1 99/4885HSD17B2 77/4885ESR1 3/4885
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION COL2A1, COL1A1, COL14A1 HSD17B1 61/4885HSD17B2 29/4885ESR1 4/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA HSD17B1 160/4885HSD17B2 155/4885ESR1 2/4885

“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.