SCHEMBL5730952

SCHEMBL5730952

CCc1c(-c2ccc(O)nc2)noc1-c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 11/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
GABRA1 P14867 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5729197 0.87 ESR1 (0.44) USP7ESR1ESR2S1PR1S1PR3
SCHEMBL5729008 0.75 HSD17B1 (0.47) USP7ESR1ESR2ALDH1A1MAPT
SCHEMBL5729783 0.75 ESR1 (0.48) USP7ESR1ESR2S1PR1S1PR3
SCHEMBL5729254 0.74 ESR1 (0.52) USP7ESR1ESR2S1PR1S1PR3
SCHEMBL5729419 0.74 ESR1 (0.46) USP7ESR1ESR2
SCHEMBL5729828 0.74 ESR2 (0.51) USP7ESR1ESR2MEN1KMT2A
SCHEMBL5731001 0.73 ESR2 (0.50) USP7ESR1ESR2MEN1KMT2A
SCHEMBL5728579 0.73 ESR1 (0.50) USP7ESR1ESR2
SCHEMBL5728640 0.73 ESR1 (0.50) USP7ESR1ESR2
SCHEMBL5729210 0.73 USP7 (0.52) USP7ALDH1A1MAPT

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 USP7 1964/4885ESR1 1/4885ESR2 2/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 USP7 1964/4885ESR1 1/4885ESR2 2/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 USP7 2931/4885ESR1 3/4885ESR2 1/4885

“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.