SCHEMBL3789549

SCHEMBL3789549

Clc1c(C2CCC2)cccc1C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.44
OPRL1 P41146 1/20 0.40
HTR1A P08908 2/20 0.36
HTR7 P34969 1/20 0.36
HTR2C P28335 5/20 0.35
HTR2B P41595 2/20 0.35
NR1I2 O75469 1/20 0.35
HSD11B1 P28845 1/20 0.35
PTPN5 P54829 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PDK2 Q15119 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP11B2 P19099 1/20 0.33

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 0.95 CEL (0.48) CELOPRL1HTR1AHTR7HTR2C
SCHEMBL3783301 0.93 CEL (0.50) CELOPRL1HTR1AHTR7PTPN5
SCHEMBL3794742 0.90 OPRL1 (0.41) CELOPRL1HTR1AHTR2CHTR2B
SCHEMBL3789205 0.85 CEL (0.38) CELOPRL1HTR2CHTR2BALOX5AP
SCHEMBL24069104 0.82 CEL (0.46) CELOPRL1HTR1AHTR2CHTR2B
SCHEMBL126651 0.82 CEL (0.46) CELOPRL1HTR1AHTR2CHTR2B
SCHEMBL9627736 0.82 TSHR (0.46) CELOPRL1HTR1AHTR7HDAC4
SCHEMBL7991827 0.81 TSHR (0.45) CELOPRL1PTPN5HDAC4HDAC2
SCHEMBL3781868 0.81 CEL (0.42) CELOPRL1HTR1AHTR7HDAC4
SCHEMBL9628574 0.81 HTR2C (0.46) CELOPRL1HTR1AHTR7HTR2C

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 3833/4885HTR1A 3657/4885

“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.