SCHEMBL3795004

SCHEMBL3795004

CCCOc1ccc(B(O)O)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
CASP1 P29466 1/20 0.60
HTT P42858 1/20 0.60
CASP7 P55210 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAOA P21397 1/20 0.46
SCN1A P35498 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3789750 0.92 CYP1A2 (0.53) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL3790022 0.87 MAPT (0.47) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL3785449 0.86 HSD17B10 (0.56) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL3791885 0.84 MAPT (0.47) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL29957542 0.81 ESR1 (0.42) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL4814769 0.81 ESR1 (0.42) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL7420999 0.80 HSD17B10 (0.44) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL29950801 0.80 HSD17B10 (0.44) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL177284 0.80 MAPT (0.40) USP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL182934 0.80 ENPP2 (0.57) USP2MAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 USP2 4359/4885MAPT 3312/4885KDM4E 2606/4885

“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.