SCHEMBL3783301

SCHEMBL3783301

Clc1c(C2CCCCC2)cccc1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.50
OPRL1 P41146 2/20 0.45
CYP11B2 P19099 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
PTGS2 P35354 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PTPN5 P54829 2/20 0.36
PTPN2 P17706 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL3792040 0.98 CEL (0.48) CELOPRL1CYP11B2PTGDR2PTGS2
SCHEMBL3789549 0.93 CEL (0.44) CELOPRL1CYP11B2HTR1AHTR7
SCHEMBL24069104 0.89 CEL (0.46) CELOPRL1HTR1AOPRM1OPRK1
SCHEMBL126651 0.89 CEL (0.46) CELOPRL1HTR1AOPRM1OPRK1
SCHEMBL3794742 0.87 OPRL1 (0.41) CELOPRL1HTR1A
SCHEMBL7991827 0.87 TSHR (0.45) CELOPRL1PTGDR2HDAC4HDAC2
SCHEMBL9627446 0.86 HTR2C (0.44) CELOPRL1PTGS2HTR1AHTR7
SCHEMBL3793541 0.86 CEL (0.43) CELOPRL1PTGDR2PTGS2HTR1A
SCHEMBL10978822 0.86 OPRL1 (0.61) CELOPRL1PTGS2HTR1A
SCHEMBL9627736 0.85 TSHR (0.46) CELOPRL1PTGDR2HTR1AHTR7

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 887/4885OPRL1 3833/4885CYP11B2 79/4885

“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.