SCHEMBL5864426

SCHEMBL5864426

Nc1cccc(C(=O)O)c1C(=O)OCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
HSD17B10 Q99714 5/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
HPGD P15428 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
TP53 P04637 1/20 0.71
GLA P06280 1/20 0.71
CYP3A4 P08684 1/20 0.71
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
HIF1A Q16665 1/20 0.71
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL31053811 0.83 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL446803 0.83 ALDH1A1 (1.00) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL5863891 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL8007082 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL20506827 0.80 TSHR (0.71) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL31205771 0.80 TSHR (0.71) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL5864166 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10NPC1RAB9AHPGD
Phenethyl Benzoate SCHEMBL28250184 0.78 ALDH1A1 (0.88) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL5466819 0.78 ALDH1A1 (0.49) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL290777 0.78 TSHR (0.77) ALDH1A1HSD17B10NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC ALDH1A1 1345/4885HSD17B10 345/4885NPC1 7/4885

“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.