SCHEMBL3790658

SCHEMBL3790658

NOB(O)c1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
NUDT1 P36639 1/20 0.31
BACE1 P56817 1/20 0.31
CEL P19835 1/20 0.30

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
SCHEMBL3787278 0.94 ABCB1 (0.32) ABCB1
SCHEMBL3789806 0.82 ABCB1 (0.39) ABCB1PTGDR2MEN1KMT2APDCD1
SCHEMBL30002535 0.82 ABCB1 (0.39) ABCB1PTGDR2MEN1KMT2APDCD1
SCHEMBL3790852 0.81 PTGDR2 (0.39) PTGDR2MEN1KMT2APDCD1CD274
SCHEMBL3789911 0.80 ABCB1 (0.36) ABCB1PTGDR2MEN1KMT2ACEL
SCHEMBL3790557 0.77 ABCB1 (0.33) ABCB1
SCHEMBL3790065 0.77 NOTUM (0.38) ABCB1
SCHEMBL3786459 0.76 KMO (0.39) PTGDR2KMT2ANUDT1BACE1
SCHEMBL239469 0.74 ABCB1 (0.43) ABCB1PTGDR2PDCD1CD274CEL
SCHEMBL3792610 0.73 PDK2 (0.33)

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 ABCB1 826/4885PTGDR2 3672/4885MEN1 174/4885

“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.