SCHEMBL4925484

SCHEMBL4925484

COc1cc(OC)c(-c2noc3ccccc23)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HIF1A Q16665 3/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE10A Q9Y233 1/20 0.41
GPR35 Q9HC97 1/20 0.40
CDC25B P30305 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL4935662 0.89 HIF1A (0.47) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL4924625 0.84 HPGD (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4924640 0.84 ESR1 (0.43) KDM4EALDH1A1ESR1ESR2HIF1A
SCHEMBL4931049 0.82 ESR1 (0.48) ESR1ESR2HIF1AMEN1KMT2A
SCHEMBL4931003 0.79 ESR1 (0.44) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL4931971 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL28962067 0.76 NPC1 (0.54) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL30292801 0.76 NPC1 (0.54) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL4931993 0.75 ESR1 (0.41) KDM4EESR1ESR2MAPTLMNA
SCHEMBL4933053 0.75 ESR1 (0.41) ESR1ESR2HIF1AMAPTFFAR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US 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 (1 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-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer UGT2B7, UGT2B17, CYP4X1 KDM4E 1573/4885ALDH1A1 39/4885HPGD 628/4885

“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.