SCHEMBL3934770

SCHEMBL3934770

Oc1ccc(-c2ccc3ccccc3c2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.72
ESR2 Q92731 12/20 0.72
ALOX5 P09917 1/20 0.68
HSD17B1 P14061 3/20 0.66
HSD17B2 P37059 3/20 0.66
ACMSD Q8TDX5 1/20 0.56
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MGLL Q99685 1/20 0.49

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
SCHEMBL3924993 0.84 ESR1 (1.00) ESR1ESR2HSD17B1HSD17B2
SCHEMBL857363 0.82 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL30635318 0.82 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL31549497 0.81 HSD17B1 (0.74) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL3371623 0.81 ESR1 (0.54) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL8477872 0.81 HSD17B1 (0.74) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL14548275 0.79 ESR1 (0.52) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL17500075 0.78 ALOX5 (0.70) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL5013872 0.78 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL239121 0.78 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 disclosed
CN-101321524-A Novel uses for estrogen beta agonists WYETH CORP (US) 2008-12-10 CN disclosed
EP-1824478-A2 NOVEL USES FOR ESTROGEN BETA AGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-29 EP disclosed
US-7067524-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2006-06-27 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 (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-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA ESR1 2/4885ESR2 1/4885ALOX5 3552/4885
US-20060135574-A1 Novel uses for estrogen beta agonists GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885ALOX5 1706/4885
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 ESR1 4/4885ESR2 5/4885ALOX5 187/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA ESR1 2/4885ESR2 1/4885ALOX5 3552/4885

“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.