SCHEMBL5729425

SCHEMBL5729425

COc1ccc(C(=O)c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
PTGS1 P23219 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 4/20 0.45
PDE3A Q14432 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HSP90AA1 P07900 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 1/20 0.42
NOX1 Q9Y5S8 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
SCHEMBL5730307 1.00 MEN1 (0.49) MEN1KMT2ANPC1PTGS1L3MBTL1
SCHEMBL5728792 0.89 PTGS1 (0.48) MEN1KMT2APTGS1L3MBTL1ESR2
SCHEMBL5730021 0.85 KMT2A (0.46) MEN1KMT2ANPC1PTGS1L3MBTL1
SCHEMBL5729621 0.83 ESR1 (0.59) MEN1KMT2AESR2LMNAHTT
SCHEMBL5729501 0.83 ESR1 (0.59) MEN1KMT2AESR2LMNAHTT
SCHEMBL5728694 0.82 MAPK1 (0.53) MEN1KMT2ANPC1PTGS1GPBAR1
SCHEMBL5730289 0.82 MEN1 (0.43) MEN1KMT2ANPC1PTGS1L3MBTL1
SCHEMBL5729117 0.82 PTGS1 (0.55) MEN1KMT2ANPC1PTGS1L3MBTL1
SCHEMBL5730435 0.82 MAPT (0.45) MEN1KMT2ANPC1PTGS1L3MBTL1
SCHEMBL5729608 0.81 STAT3 (0.48) MEN1KMT2AESR2KDM4ELMNA

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 12 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-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US claimed
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 MEN1 2458/4885KMT2A 2788/4885NPC1 1144/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MEN1 2458/4885KMT2A 2788/4885NPC1 1144/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 MEN1 1663/4885KMT2A 3535/4885NPC1 511/4885

“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.