SCHEMBL3789864

SCHEMBL3789864

OCc1cccc(CO)c1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LIPG Q9Y5X9 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL29953243 0.84 IDO1 (0.36) ENPP2APOBEC3GPDCD1CD274
SCHEMBL16687397 0.84 IDO1 (0.36) ENPP2APOBEC3GPDCD1CD274
SCHEMBL16687396 0.84 PNMT (0.39) ENPP2APOBEC3GPDCD1CD274CYP2A6
SCHEMBL29092564 0.84 CYP3A4 (0.37) ENPP2APOBEC3GPDCD1CD274TSHR
SCHEMBL29957463 0.80 ENPP2 (0.47) ENPP2PDCD1CD274KDM4ELMNA
SCHEMBL12880050 0.80 ENPP2 (0.47) ENPP2PDCD1CD274KDM4ELMNA
SCHEMBL61590 0.77 GABRA1 (0.54) LIPGGABRA1GABRB2LMNAPDK2
SCHEMBL29092479 0.77 ALDH1A1 (0.49) TSHR
SCHEMBL16687426 0.75 CA1 (0.39) PDCD1CD274KDM4ELMNACA7
SCHEMBL28373833 0.73 HSD17B10 (0.42) TSHRCYP2A6CYP1A2CYP2C19

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 ENPP2 1920/4885APOBEC3G 1263/4885PDCD1 465/4885

“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.