SCHEMBL1376248

SCHEMBL1376248

CCc1cc(O)cc2nc(-c3ccc(O)cc3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 1.00
ESR1 P03372 15/20 1.00
HDAC6 Q9UBN7 1/20 0.62

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
Ethane SCHEMBL27621555 0.99 ESR2 (0.97) ESR2ESR1HDAC6
SCHEMBL1376299 0.89 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL1376437 0.87 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL1377481 0.86 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL1379223 0.85 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL1377400 0.84 ESR2 (0.72) ESR2ESR1
SCHEMBL27700169 0.83 ESR2 (0.80) ESR2ESR1HDAC6
SCHEMBL1378401 0.82 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL4463964 0.78 ESR2 (0.78) ESR2ESR1HDAC6
SCHEMBL1379244 0.78 ESR2 (1.00) ESR2ESR1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212923-A1 Phosphate Derivatives of Substituted Benzoxazoles PFIZER INC. 2011-09-01 US claimed
JP-4689960-B2 2011-06-01 JP claimed
EP-2250180-A1 PHOSPHATE DERIVATIVES OF SUBSTITUTED BENZOXAZOLES Wyeth LLC (US) 2010-11-17 EP claimed
WO-2009100335-A1 PHOSPHATE DERIVATIVES OF SUBSTITUTED BENZOXAZOLES WYETH (US) 2009-08-13 WO claimed
CN-101423500-A Substituted benzoxazoles and analogues as estrogenic agents WYETH CORP (US) 2009-05-06 CN 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 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-100443477-C Substituted benzo * oxazoles and analogs as estrogenic agents WYETH CORP (US) 2008-12-17 CN claimed
CN-101044126-A Prodrug substituted benzoxazoles as estrogenic agents WYETH CORP (US) 2007-09-26 CN claimed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 US claimed
EP-1781628-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS Wyeth a Corporation of the State of Delaware (US) 2007-05-09 EP claimed
WO-2006026316-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2006-03-09 WO claimed
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents WYETH (US) 2006-03-02 US claimed
CN-1646504-A Substituted benzoxazoles and analogs as estrogenic agents WYETH CORP (US) 2005-07-27 CN claimed
US-6794403-B2 FOR TREATING OR INHIBITING INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE PROCTITIS OR COLITIS PROSTATIC HYPERTROPHY, UTERINE LEIOMYOMAS, BREAST CANCER, ENDOMETRIAL CANCER, CARDIOVASCULAR DISEASE, ALZHEIMER'S DISEASE WYETH 2004-09-21 US claimed
EP-1451165-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-01 EP claimed
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents WYETH 2003-10-23 US claimed
WO-2003050095-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS WYETH (US) 2003-06-19 WO claimed
EP-3782616-B1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2023-11-01 EP disclosed
WO-2003050095-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS WYETH (US) 2003-06-19 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-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885HDAC6 1770/4885
US-20110212923-A1 Phosphate Derivatives of Substituted Benzoxazoles ESR2, GPER1, ESR1 ESR2 1/4885ESR1 3/4885HDAC6 4186/4885
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 ESR2 5/4885ESR1 4/4885HDAC6 1524/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885HDAC6 1892/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 ESR2 3/4885ESR1 1/4885HDAC6 1696/4885

“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.