SCHEMBL3787254

SCHEMBL3787254

CCOC(=O)Nc1ccc(NC(=O)OCC)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
HPGD P15428 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 3/20 0.57
EGFR P00533 3/20 0.57
KDR P35968 3/20 0.57
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
HTT P42858 1/20 0.54
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL3788235 0.88 ALDH1A1 (0.57) CYP1A2CYP2C9CYP2C19HPGDNPC1
SCHEMBL9659046 0.87 KMT2A (0.70) CYP1A2CYP2C9CYP2C19HPGDNPC1
SCHEMBL6491164 0.86 HPGD (0.76) CYP1A2CYP2C9CYP2C19HPGDNPC1
SCHEMBL6333143 0.86 MAPT (0.63) CYP1A2CYP2C9CYP2C19HPGDNPC1
SCHEMBL6814846 0.86 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2072406 0.84 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL3785145 0.83 EGFR (0.54) CYP1A2CYP2C9CYP2C19HPGDNPC1
SCHEMBL6004993 0.83 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL5972657 0.83 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HPGDRAB9A
SCHEMBL13602178 0.82 RAB9A (0.56) CYP1A2CYP2C9CYP2C19HPGDNPC1

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 CYP1A2 170/4885CYP2C9 157/4885CYP2C19 196/4885

“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.