SCHEMBL3795015

SCHEMBL3795015

Clc1ccc(C2CCCCC2)c(C2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
PTGDR2 Q9Y5Y4 8/20 0.51
PTGDR Q13258 5/20 0.51
PTGER2 P43116 1/20 0.51
CEL P19835 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
GCGR P47871 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
AGTR1 P30556 1/20 0.44
OPRL1 P41146 2/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3793544 0.98 CHRNB2 (0.57) CHRNB2CHRNA4PTGDR2PTGDRPTGER2
SCHEMBL3785706 0.93 CHRNB2 (0.57) CHRNB2CHRNA4PTGDR2PTGDRPTGER2
SCHEMBL3781719 0.89 CHRNB2 (0.61) CHRNB2CHRNA4PTGDR2PTGDRPTGER2
SCHEMBL126782 0.85 PTGDR2 (0.50) CHRNB2CHRNA4PTGDR2PTGDRPTGER2
SCHEMBL434608 0.85 GAA (0.56) PTGDR2PTGDRPTGER2CELGAA
SCHEMBL8138965 0.83 PTGDR2 (0.49) CHRNB2CHRNA4PTGDR2PTGDRPTGER2
SCHEMBL432639 0.83 GAA (0.58) PTGDR2PTGDRPTGER2CELGAA
SCHEMBL15566598 0.83 PTGDR2 (0.49) CHRNB2CHRNA4PTGDR2PTGDRPTGER2
SCHEMBL3787194 0.82 TSHR (0.45) PTGDR2PTGDRPTGER2CELTAAR1
SCHEMBL22137696 0.82 PROKR1 (0.47) PTGDR2PTGDRPTGER2CELTAAR1

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 CHRNB2 3205/4885CHRNA4 4337/4885PTGDR2 3672/4885

“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.