SCHEMBL3935673

SCHEMBL3935673

O=[N+]([O-])c1c(O)ccc2cc(-c3ccc(O)cc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 15/20 1.00
▸ ESR2 Q92731 15/20 1.00
▸ HSD17B1 P14061 2/20 0.50
▸ HSD17B2 P37059 2/20 0.50
▸ PIM1 P11309 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ ALOX5 P09917 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HNF4A P41235 1/20 0.41

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
SCHEMBL7909511 0.79 ESR1 (0.65) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL9482795 0.78 ESR1 (0.64) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL32681583 0.78 ESR1 (0.64) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL5981389 0.78 ESR1 (0.63) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL26933730 0.78 ESR1 (0.63) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL5981472 0.77 ESR1 (0.62) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL28420685 0.75 ESR1 (0.58) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL15892261 0.75 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2
SCHEMBL4940986 0.75 ESR1 (0.60) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL16401150 0.74 ESR1 (0.58) ESR1ESR2PIM1DYRK1APIM3

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 20 patents. 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
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
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
WO-2006065968-A2 THE USES OF ESTROGEN BETA AGONISTS TO TREAT COGNITIVE DISEASES WYETH (US) 2006-06-22 — — WO disclosed
US-20060135574-A1 Novel uses for estrogen beta agonists WYETH (US) 2006-06-22 — — 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 1/4885HSD17B1 160/4885
US-20060135574-A1 Novel uses for estrogen beta agonists GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885HSD17B1 99/4885
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 5/4885HSD17B1 61/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA ESR1 2/4885ESR2 1/4885HSD17B1 160/4885

“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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