SCHEMBL5217422

SCHEMBL5217422

NC(=O)c1[c]ccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
LCK P06239 2/20 0.33
PARP10 Q53GL7 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 3/20 0.32
MAPT P10636 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CES2 O00748 1/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.31
CA2 P00918 5/20 0.31
CA12 O43570 4/20 0.31
CA9 Q16790 4/20 0.31
CA1 P00915 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA7 P43166 2/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL4828985 0.82 CA12 (0.40) ALDH1A1KDM4ETSHRMAPTHSD17B10
SCHEMBL7109413 0.80 F12 (0.39) ENPP2LMNA
SCHEMBL22207455 0.80 CA5A (0.38) ALDH1A1KDM4EMAPTHSD17B10CES2
SCHEMBL4628895 0.77 PARP1 (0.43) PARP1LCKPARP10ALDH1A1KDM4E
SCHEMBL196740 0.76 PARP1 (0.45) PARP1ALDH1A1KDM4ETSHRMAPT
SCHEMBL7212212 0.76 PARP1 (0.45) PARP1PARP10ALDH1A1TSHRCES2
SCHEMBL10388490 0.76 PARP1 (0.45) PARP1PARP10KDM4ECES2HPGD
SCHEMBL11086126 0.75 CA12 (0.47) ALDH1A1KDM4ETSHRMAPTHSD17B10
SCHEMBL6426350 0.71 CA12 (0.51) KDM4ETSHRMAPTHPGDCA2
SCHEMBL18554580 0.71 PARP1 (0.50) PARP1PARP10ALDH1A1KDM4ETSHR

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 20 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 claimed
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
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-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 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-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP 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
WO-2000007996-A2 PYRAZOLES 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 (6 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 PARP1 2913/4885LCK 2342/4885PARP10 1647/4885
US-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PARP1 2009/4885LCK 2151/4885PARP10 991/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PARP1 2913/4885LCK 2342/4885PARP10 1647/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 PARP1 2009/4885LCK 2151/4885PARP10 991/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PARP1 2009/4885LCK 2151/4885PARP10 991/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PARP1 999/4885LCK 763/4885PARP10 1619/4885

“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.