SCHEMBL5863891

SCHEMBL5863891

O=C(O)c1cccc(Br)c1C(=O)OCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48

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
SCHEMBL5864426 0.83 ALDH1A1 (0.71) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL31205771 0.80 TSHR (0.71) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL20506827 0.80 TSHR (0.71) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL28652440 0.79 CA12 (0.54) ALDH1A1HPGDNPC1RAB9ATSHR
SCHEMBL5864166 0.79 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL290777 0.78 TSHR (0.77) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL31474864 0.77 L3MBTL1 (0.64) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL8548420 0.75 ALDH1A1 (0.57) ALDH1A1HPGDNPC1RAB9ATDP1
Salicylic Acid SCHEMBL31020340 0.75 TDP1 (0.64) ALDH1A1HPGDNPC1RAB9AL3MBTL1
SCHEMBL28056570 0.74 NPC1 (0.45) ALDH1A1HPGDNPC1RAB9AL3MBTL1

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 1345/4885HPGD 775/4885NPC1 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.