SCHEMBL3789861

SCHEMBL3789861

CC(=O)c1ccc(B(O)O)c(C(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
AKR1C3 P42330 8/20 0.44
AKR1C2 P52895 8/20 0.44
S100A4 P26447 1/20 0.43
CYP2A6 P11509 1/20 0.41
HSD17B1 P14061 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.39
PRKCI P41743 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL3790248 0.83 MAPT (0.42) MAPTRAB9ANPC1AKR1C3AKR1C2
SCHEMBL50489 0.78 AKR1C3 (0.49) MAPTRAB9ANPC1AKR1C3AKR1C2
SCHEMBL29361599 0.78 AKR1C3 (0.49) MAPTRAB9ANPC1AKR1C3AKR1C2
SCHEMBL3502920 0.78 ALDH1A1 (0.42) MAPTRAB9ANPC1CYP2A6PKM
SCHEMBL13128973 0.75 CYP2A6 (0.46) MAPTRAB9ANPC1S100A4CYP2A6
SCHEMBL31050823 0.75 PKM (0.53) MAPTRAB9ANPC1S100A4CYP2A6
SCHEMBL12620176 0.75 ALDH1A1 (0.58) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1669169 0.74 CYP2A6 (0.48) MAPTRAB9ANPC1AKR1C3AKR1C2
SCHEMBL7295677 0.74 PKM (0.57) MAPTRAB9ANPC1AKR1C3AKR1C2
SCHEMBL7295671 0.74 AKR1C3 (0.46) MAPTRAB9ANPC1AKR1C3AKR1C2

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 MAPT 3312/4885RAB9A 1357/4885NPC1 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.