SCHEMBL5729419

SCHEMBL5729419

CCc1cc(-c2onc(-c3ccc(O)cc3)c2CC)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.46
ESR2 Q92731 12/20 0.46
HSD17B1 P14061 3/20 0.41
ESRRB O95718 1/20 0.38
ESRRA P11474 1/20 0.38
AR P10275 1/20 0.36
PLTP P55058 1/20 0.36
TP53 P04637 1/20 0.35
USP7 Q93009 1/20 0.35

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
SCHEMBL5730033 0.89 ESR1 (0.50) ESR1ESR2PLTPTP53
SCHEMBL5729280 0.87 ESR1 (0.48) ESR1ESR2TP53
SCHEMBL5729828 0.86 ESR2 (0.51) ESR1ESR2HSD17B1ARUSP7
SCHEMBL5729197 0.85 ESR1 (0.44) ESR1ESR2ESRRBESRRATP53
SCHEMBL5728579 0.85 ESR1 (0.50) ESR1ESR2USP7
SCHEMBL5728640 0.85 ESR1 (0.50) ESR1ESR2HSD17B1USP7
SCHEMBL5731001 0.85 ESR2 (0.50) ESR1ESR2USP7
SCHEMBL5729890 0.84 CLK1 (0.43) ESR1ESR2HSD17B1PLTPTP53
SCHEMBL5729008 0.82 HSD17B1 (0.47) ESR1ESR2HSD17B1USP7
SCHEMBL5729714 0.81 ESR1 (0.44) ESR1ESR2ESRRBESRRAUSP7

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 ESR1 1/4885ESR2 2/4885HSD17B1 341/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885HSD17B1 341/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ESR1 3/4885ESR2 1/4885HSD17B1 188/4885

“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.