SCHEMBL3786783

SCHEMBL3786783

Nc1cc(CO)cc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
TSHR P16473 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PRKCI P41743 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.40
GPR68 Q15743 1/20 0.40
AGXT P21549 1/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL3780752 0.86 MAOA (0.52) MAOAPRKCICYP3A4TDP1KDM4E
SCHEMBL3787145 0.86 CYP3A4 (0.46) TOP2ATOP2BTSHRTAAR1HSD17B10
SCHEMBL21973519 0.85 TSHR (0.55) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12294066 0.85 TSHR (0.55) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3790239 0.82 TAAR1 (0.56) MAOAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3591800 0.81 AGXT (0.41) TAAR1AGXTMAOBRXRARXRB
SCHEMBL5698111 0.80 TSHR (0.60) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22212987 0.80 MAOA (0.48) MAOATSHRGRIN2DGRIN3BGRIN1
SCHEMBL28215091 0.80 MAOA (0.48) MAOAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27590164 0.79 PTGS1 (0.58) MAOATSHRLMNAGAAHTT

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 MAOA 348/4885TOP2A 1265/4885TOP2B 611/4885

“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.