SCHEMBL3789205

SCHEMBL3789205

Nc1cccc(C2CCC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.38
ALOX5AP P20292 5/20 0.36
FEN1 P39748 5/20 0.36
OPRL1 P41146 1/20 0.35
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NR4A2 P43354 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA2A P08913 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL3781868 0.96 CEL (0.42) CELALOX5APFEN1OPRL1NOS1
SCHEMBL3793541 0.94 CEL (0.43) CELFEN1OPRL1NOS1TDO2
SCHEMBL3786896 0.92 OPRL1 (0.37) CELOPRL1NR4A2TSHRALDH1A1
SCHEMBL3789549 0.85 CEL (0.44) CELALOX5APFEN1OPRL1HTR2A
SCHEMBL3792040 0.81 CEL (0.48) CELOPRL1HTR2C
SCHEMBL1068978 0.79 NOS1 (0.41) NOS3NOS1NOS2ALDH1A1HTR2C
SCHEMBL3783301 0.79 CEL (0.50) CELOPRL1
SCHEMBL3790181 0.76 CEL (0.38) CELALOX5APFEN1HTR2AHTR2C
SCHEMBL3794742 0.75 OPRL1 (0.41) CELOPRL1TSHRHTR2AHTR2C
SCHEMBL5743128 0.75 TDO2 (0.38) CELFEN1NOS1TSHRALDH1A1

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 CEL 887/4885ALOX5AP 2385/4885FEN1 2139/4885

“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.