SCHEMBL3791971

SCHEMBL3791971

Clc1cccc(C2CCCC2)c1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
OPRL1 P41146 4/20 0.40
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 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
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

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
SCHEMBL3796466 0.98 CEL (0.44) CELSMN1; SMN2OPRL1GLAHTT
SCHEMBL3789259 0.96 SMN1; SMN2 (0.42) CELSMN1; SMN2OPRL1GLAHTT
SCHEMBL3785910 0.91 SMN1; SMN2 (0.41) SMN1; SMN2OPRL1TP53RECQLCACNG8
SCHEMBL10693537 0.85 SMN1; SMN2 (0.47) CELSMN1; SMN2OPRL1GLAHTT
SCHEMBL777873 0.84 CEL (0.41) CELHTR1AHTR7ABCB1
SCHEMBL239469 0.82 ABCB1 (0.43) CELHTR1AHTR7ABCB1
SCHEMBL12290554 0.82 SMN1; SMN2 (0.48) CELSMN1; SMN2OPRL1GLAHTT
SCHEMBL14353365 0.80 ABCB1 (0.42) CELHTR1AHTR7ABCB1
SCHEMBL3789653 0.80 TP53 (0.53) CELOPRL1TP53RECQLHTR1A
SCHEMBL24069104 0.79 CEL (0.46) CELOPRL1GLAHTTNPSR1

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 887/4885SMN1; SMN2 4524/4885OPRL1 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.