SCHEMBL4933053

SCHEMBL4933053

COc1cc(OC)c(N(C)c2ccccc2)cc1-c1noc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CSF1R P07333 4/20 0.41
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
HIF1A Q16665 2/20 0.36
MAPT P10636 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KAT6A Q92794 1/20 0.35
NR4A2 P43354 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4928671 0.88 ESR1 (0.37) ESR1ESR2EGFRPDGFRBHIF1A
SCHEMBL4934931 0.87 GPBAR1 (0.38) ESR1ESR2CSF1REGFRHIF1A
SCHEMBL4931049 0.78 ESR1 (0.48) ESR1ESR2HIF1AMAPTFFAR4
SCHEMBL4925484 0.75 KDM4E (0.48) ESR1ESR2HIF1AMAPTFFAR4
SCHEMBL4931003 0.74 ESR1 (0.44) ESR1ESR2HIF1AMAPTFFAR4
SCHEMBL4931971 0.73 ALDH1A1 (0.45) ESR1ESR2HIF1AMAPTFFAR4
SCHEMBL4924654 0.73 CYP1A1 (0.46) ESR1ESR2PDGFRBPDGFRAMAPT
SCHEMBL4924645 0.73 CYP1A1 (0.46) ESR1ESR2PDGFRBPDGFRAMAPT
SCHEMBL4931993 0.73 ESR1 (0.41) ESR1ESR2MAPT
SCHEMBL4936083 0.72 SMN1; SMN2 (0.52) ESR1ESR2HIF1AMAPTNR4A2

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 ESR1 2306/4885ESR2 987/4885CSF1R 1141/4885

“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.