SCHEMBL5731001

SCHEMBL5731001

CCc1c(-c2ccc(O)cc2)noc1-c1ccc(O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.50
ESR1 P03372 12/20 0.50
DUSP3 P51452 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
HSP90AA1 P07900 1/20 0.37
USP7 Q93009 1/20 0.37
ADORA2A P29274 3/20 0.36
ADORA1 P30542 2/20 0.36

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
SCHEMBL5729419 0.85 ESR1 (0.46) ESR2ESR1USP7
SCHEMBL5729828 0.85 ESR2 (0.51) ESR2ESR1MEN1KMT2AUSP7
SCHEMBL5729197 0.84 ESR1 (0.44) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL5728579 0.84 ESR1 (0.50) ESR2ESR1HSP90AA1USP7
SCHEMBL5728640 0.84 ESR1 (0.50) ESR2ESR1DUSP3USP7
SCHEMBL5728746 0.82 ESR2 (0.43) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL5729008 0.81 HSD17B1 (0.47) ESR2ESR1DUSP3ALDH1A1MAPT
SCHEMBL5730033 0.80 ESR1 (0.50) ESR2ESR1MEN1KMT2AMAPT
SCHEMBL5729890 0.80 CLK1 (0.43) ESR2ESR1ALDH1A1MAPTUSP7
SCHEMBL5729280 0.78 ESR1 (0.48) ESR2ESR1MEN1KMT2AALDH1A1

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 1/4885DUSP3 2318/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR2 2/4885ESR1 1/4885DUSP3 2318/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ESR2 1/4885ESR1 3/4885DUSP3 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.