SCHEMBL3783320

SCHEMBL3783320

OB(O)c1c(C2CCCCC2)cccc1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
CEL P19835 2/20 0.38
KMO O15229 1/20 0.37
PTGS2 P35354 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PTPN5 P54829 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PTPN2 P17706 1/20 0.34
CYP11B2 P19099 1/20 0.33
NOS1 P29475 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
SCHEMBL3789799 0.98 PTGDR2 (0.38) PTGDR2CELKMOPTGS2HTR1A
SCHEMBL5049851 0.94 PTGDR2 (0.34) PTGDR2CELKMOHTR1AHTR7
SCHEMBL3795063 0.89 PDK2 (0.37) MEN1KMT2A
SCHEMBL31390548 0.83 PTGS2 (0.44) PTGDR2PTGS2MEN1KMT2APTPN5
SCHEMBL28591187 0.81 PTGS2 (0.42) PTGDR2PTGS2MEN1KMT2APTPN5
SCHEMBL3790852 0.80 PTGDR2 (0.39) PTGDR2CELKMOPTGS2HTR1A
SCHEMBL26562334 0.79 PTGS2 (0.39) PTGDR2CELKMOPTGS2HTR1A
SCHEMBL17061132 0.78 PTGDR2 (0.42) PTGDR2PTGS2HTR1AMEN1KMT2A
SCHEMBL2652565 0.78 PTGDR2 (0.42) PTGDR2PTGS2HTR1AMEN1KMT2A
SCHEMBL30002535 0.77 ABCB1 (0.39) PTGDR2CELKMOPTGS2HTR1A

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 3672/4885CEL 887/4885KMO 19/4885

“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.