SCHEMBL3784358

SCHEMBL3784358

CCOC(=O)Nc1cccc(NC(=O)OCC)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
GPR35 Q9HC97 2/20 0.71
HPGD P15428 1/20 0.64
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
NLRP3 Q96P20 3/20 0.55
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 1/20 0.49
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3803167 0.92 ALDH1A1 (0.77) ALDH1A1GPR35HPGDCYP1A2CYP2C9
SCHEMBL9342000 0.85 ALDH1A1 (0.78) ALDH1A1GPR35HPGDCYP1A2CYP2C9
SCHEMBL28401182 0.85 ALDH1A1 (0.72) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL1189632 0.84 ALDH1A1 (0.77) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL7916743 0.84 ALDH1A1 (0.81) ALDH1A1GPR35HPGDCYP1A2CYP2C9
SCHEMBL7250114 0.84 ALDH1A1 (0.66) ALDH1A1GPR35HPGDCYP1A2CYP2C9
SCHEMBL3788964 0.83 ALDH1A1 (0.75) ALDH1A1GPR35HPGDCYP1A2CYP2C9
SCHEMBL11402541 0.83 GPR35 (1.00) ALDH1A1GPR35HPGDSMN1; SMN2MAPT
SCHEMBL6999775 0.81 ALDH1A1 (0.71) ALDH1A1GPR35HPGDCYP1A2CYP2C9
SCHEMBL28455248 0.81 ALDH1A1 (0.71) ALDH1A1GPR35HPGDCYP1A2CYP2C9

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 ALDH1A1 4339/4885GPR35 1486/4885HPGD 2790/4885

“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.