SCHEMBL3793129

SCHEMBL3793129

CCNc1cc(Cl)cc(NCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR6 P50406 1/20 0.36
LMNA P02545 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
PGK1 P00558 1/20 0.34
TP53 P04637 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
SCHEMBL3398764 0.95 ALDH1A1 (0.42) EGFRALDH1A1HPGDL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL3396163 0.92 ALDH1A1 (0.41) EGFRALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL12852152 0.86 RAPGEF4 (0.44) EGFRALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL12229096 0.86 MAPT (0.41) ALDH1A1HPGDKDM4EPOLBCASP1
SCHEMBL3787936 0.84 CYP3A4 (0.48) EGFRALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL20620250 0.84 RAPGEF4 (0.49) EGFRALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL26008035 0.82 ALDH1A1 (0.44) ALDH1A1HPGDCYP2C9KDM4ERECQL
SCHEMBL22312230 0.80 RAPGEF4 (0.53) ALDH1A1CYP1A2CYP2C19RAPGEF4MAPT
SCHEMBL8742149 0.78 TPMT (0.55) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL5922515 0.77 MAPT (0.56) ALDH1A1HPGDPOLBTSHRMAPT

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 EGFR 600/4885ALDH1A1 4339/4885HPGD 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.