SCHEMBL5730656

SCHEMBL5730656

CCc1c(-c2ccc(O)cc2C)noc1-c1ccc(O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.56
ESR1 P03372 14/20 0.56
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HSP90AA1 P07900 1/20 0.39
S1PR1 P21453 1/20 0.37

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
SCHEMBL5729254 0.90 ESR1 (0.52) ESR2ESR1ESRRBESRRAHSP90AB1
SCHEMBL5730888 0.90 ESR2 (0.49) ESR2ESR1ESRRBESRRAHSP90AB1
SCHEMBL5729714 0.76 ESR1 (0.44) ESR2ESR1ESRRBESRRAHSP90AB1
SCHEMBL5728746 0.75 ESR2 (0.43) ESR2ESR1HSP90AA1S1PR1
SCHEMBL5730385 0.75 ESR1 (0.41) ESR2ESR1ESRRBESRRAHSP90AB1
SCHEMBL5729839 0.75 ESR1 (0.41) ESR2ESR1ESRRBESRRAHSP90AB1
SCHEMBL5728936 0.75 ESR1 (0.41) ESR2ESR1ESRRBESRRAHSP90AB1
SCHEMBL5730341 0.73 ESR2 (0.53) ESR2ESR1ESRRBESRRAS1PR1
SCHEMBL5730056 0.73 HSP90AB1 (0.45) ESR2ESR1ESRRBESRRAHSP90AB1
SCHEMBL5728955 0.72 HSD17B10 (0.51) ESR2ESR1ESRRBESRRAHSP90AB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR2 2/4885ESR1 1/4885ESRRB 6/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR2 2/4885ESR1 1/4885ESRRB 6/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ESR2 1/4885ESR1 3/4885ESRRB 5/4885

“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.