SCHEMBL5729073

SCHEMBL5729073

O=C(c1ccccc1O)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
LIG1 P18858 1/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 4/20 0.41
DUSP3 P51452 1/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
GSTA1 P08263 1/20 0.40
SIRT1 Q96EB6 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5730349 0.86 PTGS1 (0.46) PTGS1MEN1KMT2ALMNAMAPT
SCHEMBL5729550 0.86 PTGS1 (0.46) PTGS1MEN1KMT2ALMNAMAPT
SCHEMBL5729117 0.84 PTGS1 (0.55) PTGS1MEN1KMT2ALMNAMAPT
SCHEMBL5728792 0.82 PTGS1 (0.48) PTGS1MEN1KMT2ALMNAMAPT
SCHEMBL5728604 0.78 HSD17B1 (0.48) PTGS1DUSP3ESR1ESR2SIRT1
SCHEMBL5730021 0.76 KMT2A (0.46) PTGS1MEN1KMT2ALMNAMAPT
SCHEMBL5728694 0.76 MAPK1 (0.53) PTGS1MEN1KMT2ALMNAMAPT
SCHEMBL5729070 0.75 ALDH1A1 (0.46) PTGS1MEN1KMT2ALMNAMAPT
SCHEMBL5730307 0.73 MEN1 (0.49) PTGS1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5730435 0.73 MAPT (0.45) PTGS1MEN1KMT2ALMNAMAPT

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 PTGS1 588/4885LIG1 4159/4885MEN1 2458/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS1 588/4885LIG1 4159/4885MEN1 2458/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PTGS1 413/4885LIG1 2408/4885MEN1 1663/4885

“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.