SCHEMBL3789259

SCHEMBL3789259

Clc1cccc(C2CCC2)c1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CEL P19835 2/20 0.39
OPRL1 P41146 4/20 0.37
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
CACNG8 Q8WXS5 2/20 0.36
GRIA1 P42261 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35

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
SCHEMBL3791971 0.96 CEL (0.43) SMN1; SMN2CELOPRL1TP53RECQL
SCHEMBL3796466 0.94 CEL (0.44) SMN1; SMN2CELOPRL1TP53RECQL
SCHEMBL3785910 0.91 SMN1; SMN2 (0.41) SMN1; SMN2OPRL1TP53RECQLCACNG8
SCHEMBL12290554 0.87 SMN1; SMN2 (0.48) SMN1; SMN2CELOPRL1GLAHTT
SCHEMBL3784740 0.80 TP53 (0.53) OPRL1TP53RECQL
SCHEMBL10693537 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CELOPRL1TP53GLA
SCHEMBL777873 0.80 CEL (0.41) CEL
SCHEMBL14825017 0.79 ACHE (0.45) SMN1; SMN2OPRL1TP53RECQLCACNG8
SCHEMBL239469 0.78 ABCB1 (0.43) CEL
SCHEMBL3789549 0.78 CEL (0.44) CELOPRL1

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 SMN1; SMN2 4524/4885CEL 887/4885OPRL1 3833/4885

“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.