SCHEMBL6817818

SCHEMBL6817818

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 7/20 0.46
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
CNR2 P34972 5/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL6818409 0.92 CNR2 (0.46) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6814133 0.91 HSD17B10 (0.47) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6818318 0.91 CNR2 (0.56) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6818527 0.91 CNR2 (0.56) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6819126 0.90 HSD17B10 (0.48) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6817690 0.90 HSD17B10 (0.62) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6817920 0.89 HSD17B10 (0.46) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6818858 0.89 HSD17B10 (0.45) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6814173 0.89 CNR2 (0.47) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6833734 0.89 HSD17B10 (0.45) HSD17B10MEN1KMT2AALDH1A1HPGD

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 2592/4885MEN1 4132/4885KMT2A 2853/4885

“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.