SCHEMBL5730201

SCHEMBL5730201

Oc1ccc(-c2c(-c3cccc(O)c3)noc2-c2cccc(O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.51
HSD17B2 P37059 10/20 0.51
DUSP3 P51452 2/20 0.48
ESR1 P03372 7/20 0.48
ESR2 Q92731 7/20 0.48
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
HSP90AB1 P08238 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5730576 0.97 HSD17B1 (0.51) HSD17B1HSD17B2DUSP3ESR1ESR2
SCHEMBL5729837 0.94 ESR1 (0.56) HSD17B1HSD17B2DUSP3ESR1ESR2
SCHEMBL5729307 0.91 DUSP3 (0.55) HSD17B1HSD17B2DUSP3ESR1ESR2
SCHEMBL5729950 0.86 ESR2 (0.48) HSD17B1HSD17B2DUSP3ESR1ESR2
SCHEMBL5728874 0.86 HSP90AB1 (0.53) HSD17B1HSD17B2DUSP3ESR1ESR2
SCHEMBL2722992 0.82 ESR1 (0.63) DUSP3ESR1ESR2HSP90AB1
SCHEMBL5729331 0.82 ESR1 (0.63) DUSP3ESR1ESR2HSP90AB1
SCHEMBL5729553 0.81 ESR1 (0.53) DUSP3ESR1ESR2HSP90AB1
SCHEMBL5730514 0.80 HSD17B1 (0.50) HSD17B1HSD17B2DUSP3ESR1ESR2
SCHEMBL5729691 0.78 DUSP3 (0.43) HSD17B1HSD17B2DUSP3ESR1ESR2

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 HSD17B1 341/4885HSD17B2 270/4885DUSP3 2318/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 HSD17B1 341/4885HSD17B2 270/4885DUSP3 2318/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 HSD17B1 188/4885HSD17B2 148/4885DUSP3 2797/4885

“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.