SCHEMBL6833734

SCHEMBL6833734

C=CCOc1ccccc1-c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.45
HPGD P15428 7/20 0.45
ALDH1A1 P00352 6/20 0.45
RAB9A P51151 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 7/20 0.42
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42
TRPM4 Q8TD43 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL6818311 0.89 MEN1 (0.37) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6817818 0.89 HSD17B10 (0.49) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6817920 0.87 HSD17B10 (0.46) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6818858 0.86 HSD17B10 (0.45) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6814173 0.86 CNR2 (0.47) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6817690 0.86 HSD17B10 (0.62) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6814133 0.85 HSD17B10 (0.47) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6818318 0.85 CNR2 (0.56) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6818833 0.85 PYGL (0.49) HSD17B10HPGDALDH1A1RAB9AMEN1
SCHEMBL6818688 0.85 CNR2 (0.47) HSD17B10HPGDALDH1A1RAB9AMEN1

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 HSD17B10 2592/4885HPGD 1657/4885ALDH1A1 170/4885

“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.