SCHEMBL3785449

SCHEMBL3785449

CCOc1ccc(B(O)O)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
USP2 O75604 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CREBBP Q92793 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 5/20 0.47
POLB P06746 3/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45

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
SCHEMBL3795004 0.86 USP2 (0.60) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL3784737 0.86 ALDH1A1 (0.59) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL3789750 0.85 CYP1A2 (0.53) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL2802409 0.83 POLB (0.44) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL29956372 0.83 POLB (0.44) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL29954924 0.80 ESR1 (0.46) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL3659031 0.80 ESR1 (0.46) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL3191612 0.79 ALDH1A1 (0.53) HSD17B10TDP1ALDH1A1MAPTKDM4E
SCHEMBL8351 0.79 KDM1A (0.46) HSD17B10USP2NPC1RAB9ASMN1; SMN2
SCHEMBL16426991 0.79 MAPT (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 HSD17B10 1100/4885USP2 4359/4885NPC1 724/4885

“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.