SCHEMBL3789252

SCHEMBL3789252

CCSc1c(N)cccc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CA P42336 1/20 0.32
RECQL P46063 1/20 0.31
ALOX15 P16050 1/20 0.31
ENPP2 Q13822 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A4 P31645 1/20 0.30
MAOA P21397 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL10872486 0.82 CYP3A4 (0.42) HSD17B10TSHRCYP3A4PIK3CARECQL
SCHEMBL3789127 0.79 LIPG (0.34) LIPGHSD17B10TSHRENPP2ALDH1A1
SCHEMBL3792751 0.79 TSHR (0.36) HSD17B10TSHRCYP3A4PIK3CAALOX15
SCHEMBL3781543 0.74 LIPG (0.33) LIPGHSD17B10TSHRALOX15ENPP2
SCHEMBL3790582 0.73 ALDH1A1 (0.47) HSD17B10TSHRCYP3A4PIK3CARECQL
SCHEMBL3783955 0.73 SLC6A4 (0.35) TSHRALOX15ENPP2KDM4EALDH1A1
SCHEMBL3802412 0.72 ALDH1A1 (0.50) HSD17B10TSHRCYP3A4PIK3CARECQL
SCHEMBL3781848 0.71 LIPG (0.36) LIPGHSD17B10TSHRCYP3A4PIK3CA
Alcohol SCHEMBL29246863 0.70 ENPP2 (0.45) LIPGHSD17B10TSHRCYP3A4ALOX15
SCHEMBL3785266 0.69 ALDH1A1 (0.50) HSD17B10RECQLALOX15KDM4EALDH1A1

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 3010/4885HSD17B10 1100/4885TSHR 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.