SCHEMBL3789799

SCHEMBL3789799

OB(O)c1c(C2CCCC2)cccc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
CEL P19835 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KMO O15229 1/20 0.34
PTGS2 P35354 1/20 0.33
PTPN5 P54829 3/20 0.33
HTR2C P28335 1/20 0.32
PTPN2 P17706 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL3783320 0.98 PTGDR2 (0.40) PTGDR2HTR1AHTR7CELMEN1
SCHEMBL5049851 0.96 PTGDR2 (0.34) PTGDR2HTR1AHTR7CELMEN1
SCHEMBL3795063 0.91 PDK2 (0.37) MEN1KMT2AHTR2CPDK2
SCHEMBL28591187 0.82 PTGS2 (0.42) PTGDR2MEN1KMT2APTGS2PTPN5
SCHEMBL31390548 0.81 PTGS2 (0.44) PTGDR2MEN1KMT2APTGS2PTPN5
SCHEMBL3790852 0.77 PTGDR2 (0.39) PTGDR2HTR1AHTR7CELMEN1
SCHEMBL26562334 0.77 PTGS2 (0.39) PTGDR2HTR1AHTR7CELKMO
SCHEMBL3787321 0.77 PTGDR2 (0.40) PTGDR2HTR1AHTR7MEN1KMT2A
SCHEMBL3789911 0.76 ABCB1 (0.36) PTGDR2HTR1AHTR7CELMEN1
SCHEMBL17061132 0.75 PTGDR2 (0.42) PTGDR2HTR1AMEN1KMT2APTGS2

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 3672/4885HTR1A 3657/4885HTR7 1295/4885

“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.