SCHEMBL5729240

SCHEMBL5729240

O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
PTGS1 P23219 1/20 0.40
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RORB Q92753 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
DUSP3 P51452 1/20 0.36
NOTUM Q6P988 1/20 0.36
IGFBP3 P17936 1/20 0.36
RPA1 P27694 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5728792 0.86 PTGS1 (0.48) SRD5A2MEN1KMT2AALDH1A1MAPT
SCHEMBL5728694 0.85 MAPK1 (0.53) MEN1KMT2AALDH1A1MAPTGFER
SCHEMBL5729070 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTGFER
SCHEMBL5728604 0.81 HSD17B1 (0.48) PTGS1ESR1ESR2HSD17B1HSD17B2
SCHEMBL5730021 0.80 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL5729117 0.79 PTGS1 (0.55) MEN1KMT2AALDH1A1MAPTPTGS1
SCHEMBL5729550 0.79 PTGS1 (0.46) MEN1KMT2AALDH1A1MAPTGFER
SCHEMBL5730435 0.76 MAPT (0.45) SRD5A2MEN1KMT2AALDH1A1MAPT
SCHEMBL5730307 0.76 MEN1 (0.49) MEN1KMT2APTGS1ESR2SMN1; SMN2
SCHEMBL5729425 0.76 MEN1 (0.49) MEN1KMT2APTGS1ESR2SMN1; SMN2

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 SRD5A2 500/4885MEN1 2458/4885KMT2A 2788/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 SRD5A2 500/4885MEN1 2458/4885KMT2A 2788/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 SRD5A2 727/4885MEN1 1663/4885KMT2A 3535/4885

“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.