SCHEMBL3783543

SCHEMBL3783543

Nc1c(B(O)O)cccc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
NOS1 P29475 2/20 0.34
TDO2 P48775 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTGS2 P35354 1/20 0.33
NOTUM Q6P988 1/20 0.33
USP30 Q70CQ3 1/20 0.32
FEN1 P39748 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 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
SCHEMBL3781016 0.98 NOS1 (0.36) HTR1AHTR7NOS1TDO2PTGDR2
SCHEMBL3791444 0.96 NOS3 (0.34) HTR1AHTR7NOS1NOTUMUSP30
SCHEMBL3786616 0.93 NOTUM (0.37) NOTUMUSP30PDK2PDK4
SCHEMBL3787321 0.81 PTGDR2 (0.40) HTR1AHTR7PTGDR2PTGS2MEN1
SCHEMBL11567722 0.80 TDO2 (0.42) HTR1AHTR7NOS1TDO2PTGDR2
SCHEMBL3789911 0.80 ABCB1 (0.36) HTR1AHTR7PTGDR2PTGS2NOTUM
SCHEMBL17061132 0.79 PTGDR2 (0.42) HTR1ANOS1PTGDR2PTGS2MEN1
SCHEMBL2652565 0.79 PTGDR2 (0.42) HTR1ANOS1PTGDR2PTGS2MEN1
SCHEMBL3789806 0.79 ABCB1 (0.39) HTR1AHTR7PTGDR2PTGS2NOTUM
SCHEMBL30002535 0.79 ABCB1 (0.39) HTR1AHTR7PTGDR2PTGS2NOTUM

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 HTR1A 3657/4885HTR7 1295/4885NOS1 3102/4885

“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.