SCHEMBL6830734

SCHEMBL6830734

COCc1onc(C(=O)Nc2ccc(C#N)cc2C(=O)O)c1COC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.47
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAP2K1 Q02750 3/20 0.35
CA2 P00918 1/20 0.35
CDK2 P24941 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GPR6 P46095 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KMT2A Q03164 1/20 0.34
TRPM4 Q8TD43 1/20 0.34
HTT P42858 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34

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
SCHEMBL7067539 0.81 ALB (0.33) ALB
SCHEMBL6832994 0.76 HIF1A (0.46) ALBMAPTTP53POLBCA2
SCHEMBL6830652 0.76 ALB (0.44) ALBMAPTTP53POLBCDK2
SCHEMBL6833806 0.76 KDM4C (0.45) ALB
SCHEMBL6830490 0.74 HIF1A (0.55) ALBCDK2
SCHEMBL6822210 0.74 ALDH1A1 (0.43) ALBPOLBCA2CDK2GPR6
SCHEMBL6821929 0.74 ALB (0.43) ALBMAPTPOLBMAP2K1CDK2
SCHEMBL6830333 0.74 MAPT (0.49) ALBMAPTTP53HSD17B10GPR6
SCHEMBL6821803 0.73 ALDH1A1 (0.55) MAPTTP53POLBALOX15HSD17B10
SCHEMBL6833108 0.73 HIF1A (0.39) ALBCDK2PDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885MAPT 4759/4885TP53 2331/4885

“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.