SCHEMBL5729550

SCHEMBL5729550

O=C(c1ccccc1Cl)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
LMNA P02545 2/20 0.42
GFER P55789 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
DUSP3 P51452 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
PPARD Q03181 1/20 0.37
MAPK1 P28482 1/20 0.37
RORB Q92753 1/20 0.37

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
SCHEMBL5729073 0.86 PTGS1 (0.48) PTGS1LMNADUSP3ALDH1A1GAA
SCHEMBL5730349 0.84 PTGS1 (0.46) PTGS1LMNADUSP3ALDH1A1GAA
SCHEMBL5729117 0.82 PTGS1 (0.55) PTGS1LMNADUSP3ALDH1A1GAA
SCHEMBL5728792 0.80 PTGS1 (0.48) PTGS1LMNAGFERDUSP3ALDH1A1
SCHEMBL5728694 0.80 MAPK1 (0.53) PTGS1LMNAGFERALDH1A1MAPT
SCHEMBL5729240 0.79 SRD5A2 (0.41) PTGS1LMNAGFERDUSP3ALDH1A1
SCHEMBL5729070 0.78 ALDH1A1 (0.46) PTGS1LMNAGFERDUSP3ALDH1A1
SCHEMBL5728604 0.76 HSD17B1 (0.48) PTGS1DUSP3ESR1ESR2
SCHEMBL5730021 0.74 KMT2A (0.46) PTGS1LMNAALDH1A1GAAMAPT
SCHEMBL17845135 0.73 RAB9A (0.44) LMNAALDH1A1MAPTRAB9A

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 588/4885LMNA 3314/4885GFER 1540/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS1 588/4885LMNA 3314/4885GFER 1540/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PTGS1 413/4885LMNA 1476/4885GFER 1117/4885

“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.