SCHEMBL3784737

SCHEMBL3784737

CCOc1cc(B(O)O)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 2/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CREBBP Q92793 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
AGPAT2 O15120 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39

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
SCHEMBL3790022 0.86 MAPT (0.47) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL3785449 0.86 HSD17B10 (0.56) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL3789212 0.85 CYP1A2 (0.53) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL29956372 0.83 POLB (0.44) ALDH1A1KDM4EMAPTHSD17B10POLB
SCHEMBL2802409 0.83 POLB (0.44) ALDH1A1KDM4EMAPTHSD17B10POLB
SCHEMBL30417277 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10POLBL3MBTL1
SCHEMBL723787 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10POLBL3MBTL1
SCHEMBL2850890 0.79 HTT (0.45) ALDH1A1KDM4EMAPTHSD17B10POLB
SCHEMBL16426991 0.79 MAPT (0.54) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL2854999 0.79 ENPP2 (0.46) ALDH1A1MAPTPOLBHPGDNPC1

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 ALDH1A1 4339/4885KDM4E 2606/4885MAPT 3312/4885

“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.