SCHEMBL3790232

SCHEMBL3790232

Nc1ccc(Cl)cc1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.48
PTGDR Q13258 5/20 0.48
PTGER2 P43116 1/20 0.48
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
GCGR P47871 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CEL P19835 1/20 0.40
TP53 P04637 1/20 0.39
CHRNB2 P17787 1/20 0.38

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
SCHEMBL3790008 0.98 TSHR (0.46) PTGDR2PTGDRPTGER2TSHRCYP3A4
SCHEMBL3781247 0.94 NOS3 (0.47) PTGDR2PTGDRPTGER2TSHRCYP3A4
SCHEMBL3791534 0.90 TSHR (0.50) PTGDR2PTGDRPTGER2TSHRCYP3A4
SCHEMBL3787194 0.85 TSHR (0.45) PTGDR2PTGDRPTGER2TSHRCYP3A4
SCHEMBL3791180 0.82 TSHR (0.46) PTGDR2PTGDRPTGER2TSHRCYP3A4
SCHEMBL3795015 0.82 CHRNB2 (0.55) PTGDR2PTGDRPTGER2TSHRSMN1; SMN2
SCHEMBL5150614 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1KDM4ECEL
SCHEMBL29974719 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TDP1KDM4ECEL
SCHEMBL126782 0.80 PTGDR2 (0.50) PTGDR2PTGDRPTGER2TSHRGCGR
SCHEMBL3793544 0.79 CHRNB2 (0.57) PTGDR2PTGDRPTGER2TSHRTAAR1

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 PTGDR2 3672/4885PTGDR 3717/4885PTGER2 4468/4885

“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.