SCHEMBL3781848

SCHEMBL3781848

CCc1c(N)cccc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
PIK3CA P42336 1/20 0.36
LPL P06858 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ENPP2 Q13822 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CD44 P16070 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PARP1 P09874 1/20 0.32
LIPE Q05469 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
SCHEMBL3782737 0.83 GABRA1 (0.38) LIPGCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL11886708 0.82 CYP3A4 (0.34) LIPGCYP3A4TSHRPIK3CAALDH1A1
SCHEMBL434493 0.79 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL3786534 0.77 LIPG (0.37) LIPGCYP3A4TSHRLPLALDH1A1
SCHEMBL1762931 0.77 GABRA1 (0.48) LIPGLPLENPP2GABRA1GABRB2
SCHEMBL3188998 0.77 GABRA1 (0.38) LIPGCYP3A4TSHRPIK3CALPL
SCHEMBL4609225 0.75 GABRA1 (0.42) CYP3A4TSHRPIK3CAALDH1A1KDM4E
SCHEMBL1425126 0.74 ALOX15 (0.48) CYP3A4TSHRPIK3CAALDH1A1KDM4E
Alcohol SCHEMBL29246863 0.74 ENPP2 (0.45) LIPGCYP3A4TSHRALDH1A1ENPP2
SCHEMBL28688124 0.73 CD44 (0.48) LIPGCYP3A4TSHRPIK3CAALDH1A1

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 LIPG 3010/4885CYP3A4 177/4885TSHR 1688/4885

“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.