SCHEMBL3790248

SCHEMBL3790248

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2A6 P11509 1/20 0.41
AKR1C3 P42330 5/20 0.41
AKR1C2 P52895 5/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 3/20 0.39
PRKCI P41743 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S100A4 P26447 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B1 P14061 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3789861 0.83 MAPT (0.47) MAPTRAB9ANPC1CYP2A6AKR1C3
SCHEMBL31050823 0.79 PKM (0.53) MAPTRAB9ANPC1CYP2A6PKM
SCHEMBL13128973 0.79 CYP2A6 (0.46) MAPTRAB9ANPC1CYP2A6PKM
SCHEMBL50489 0.78 AKR1C3 (0.49) MAPTRAB9ANPC1CYP2A6AKR1C3
SCHEMBL29361599 0.78 AKR1C3 (0.49) MAPTRAB9ANPC1CYP2A6AKR1C3
SCHEMBL14120126 0.78 MAPT (0.41) MAPTRAB9ANPC1CYP2A6PKM
SCHEMBL841590 0.78 CES2 (0.42) MAPTRAB9ANPC1CYP2A6PKM
SCHEMBL13750063 0.78 TSHR (0.44) MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL28674119 0.77 KDM4E (0.50) MAPTRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL7305679 0.74 MAPT (0.45) MAPTRAB9ANPC1CYP2A6AKR1C3

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.