SCHEMBL6814645

SCHEMBL6814645

CCC(=O)COc1ccccc1-c1cc(C(=O)O)no1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
ALOX15 P16050 1/20 0.52
CNR2 P34972 10/20 0.49
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FAAH O00519 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRD4 O60885 1/20 0.47

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
SCHEMBL6815937 0.87 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL6814520 0.87 PTPN1 (0.53) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL6818227 0.87 MAPT (0.50) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL92482 0.84 CNR2 (0.64) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL6818569 0.84 L3MBTL1 (0.58) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL6818570 0.83 CNR2 (0.53) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL6818455 0.82 CNR2 (0.69) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL6813643 0.81 CNR2 (0.68) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL71318 0.81 BRD4 (0.67) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL31039820 0.80 RAB9A (0.69) ALDH1A1HPGDHSD17B10RAB9ANPC1

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

“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.