SCHEMBL3935566

SCHEMBL3935566

CCc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 19/20 1.00
▸ ESR2 Q92731 19/20 1.00
▸ ESRRB O95718 1/20 0.73
▸ ESRRA P11474 1/20 0.73
▸ TNIK Q9UKE5 1/20 0.45

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
SCHEMBL5736997 0.86 ESR1 (0.76) ESR1ESR2ESRRBESRRA
SCHEMBL3932754 0.85 ESR1 (1.00) ESR1ESR2ESRRBESRRA
SCHEMBL27638496 0.84 ESR1 (0.73) ESR1ESR2ESRRBESRRA
SCHEMBL13607763 0.83 ESR1 (0.71) ESR1ESR2ESRRBESRRA
SCHEMBL3921639 0.81 ESR1 (1.00) ESR1ESR2ESRRBESRRA
SCHEMBL3929956 0.80 ESR1 (1.00) ESR1ESR2ESRRBESRRA
SCHEMBL3936181 0.80 ESR1 (0.71) ESR1ESR2ESRRBESRRA
SCHEMBL3933875 0.80 ESR1 (1.00) ESR1ESR2ESRRBESRRA
SCHEMBL3929572 0.80 ESR1 (0.81) ESR1ESR2ESRRBESRRA
SCHEMBL3927237 0.79 ESR1 (1.00) ESR1ESR2ESRRBESRRA

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 13 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
US-7084276-B2 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-08-01 — — US claimed
EP-1628961-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS Wyeth (US) 2006-03-01 — — EP claimed
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents WYETH 2005-01-13 — — US claimed
WO-2004103973-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS WYETH (US) 2004-12-02 — — WO claimed
US-7632845-B2 2-(p-oxyphenyl)-6-oxyquinolines, e.g., 2-(3-Fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol; inflammatory bowel disease; Crohn's disease; anticarcinogenic agents; anticholesterol agents; antilipemic agents; cardiovascular diorders; osteoporosis; A lzheimer's disease; fertility; antiarthritic agents WYETH (US) 2009-12-15 — — US disclosed
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
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-09-28 — — US disclosed
US-7084276-B2 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-08-01 — — US disclosed
EP-1628961-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS Wyeth (US) 2006-03-01 — — EP disclosed
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents WYETH 2005-01-13 — — US disclosed
WO-2004103973-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS WYETH (US) 2004-12-02 — — 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 (3 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-20050009784-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ESRRB 7/4885
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 5/4885ESRRB 10/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ESRRB 7/4885

“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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