SCHEMBL4928671

SCHEMBL4928671

COc1cc(OC)c(N(C)c2ccc(C)c(C)c2)cc1-c1noc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GPBAR1 Q8TDU6 3/20 0.36
HIF1A Q16665 2/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
LCK P06239 2/20 0.33
MAPT P10636 2/20 0.32
BRD4 O60885 1/20 0.32
KAT6A Q92794 1/20 0.32
TUBB3 Q13509 2/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4933053 0.88 ESR1 (0.41) ESR1ESR2HIF1AEGFRPDGFRB
SCHEMBL4934931 0.86 GPBAR1 (0.38) ESR1ESR2GPBAR1HIF1AEGFR
SCHEMBL4931049 0.73 ESR1 (0.48) ESR1ESR2HIF1AMAPTBRD4
SCHEMBL4928663 0.73 MAPT (0.45) ESR1ESR2HIF1AMAPTTUBB3
SCHEMBL4931003 0.70 ESR1 (0.44) ESR1ESR2HIF1AMAPTKAT6A
SCHEMBL4931971 0.69 ALDH1A1 (0.45) ESR1ESR2HIF1AMAPTKAT6A
SCHEMBL4925484 0.69 KDM4E (0.48) ESR1ESR2HIF1ALCKMAPT
SCHEMBL4936083 0.68 SMN1; SMN2 (0.52) ESR1ESR2HIF1AMAPTTP53
SCHEMBL4935662 0.68 HIF1A (0.47) ESR1ESR2HIF1AMAPTTP53
SCHEMBL30292801 0.67 NPC1 (0.54) ESR1ESR2HIF1AMAPTBRD4

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 987/4885GPBAR1 390/4885

“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.