SCHEMBL5863887

SCHEMBL5863887

COC(=O)c1c(Br)cccc1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
RAB9A P51151 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL24832772 0.90 ALDH1A1 (0.63) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL5864423 0.83 ALDH1A1 (0.55) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL3820448 0.82 ALDH1A1 (0.74) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL31636376 0.82 TDP1 (0.59) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL2112637 0.82 ALDH1A1 (0.69) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL30368137 0.82 CA1 (0.53) ALDH1A1TSHRKMT2ASLC6A3RAB9A
SCHEMBL1962462 0.82 CA1 (0.53) ALDH1A1TSHRKMT2ASLC6A3RAB9A
SCHEMBL31500323 0.81 ALDH1A1 (0.59) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL6282722 0.80 ALDH1A1 (0.71) ALDH1A1TDP1TSHRL3MBTL1CYP3A4
SCHEMBL6832919 0.80 TDP1 (0.64) ALDH1A1TDP1TSHRL3MBTL1CYP3A4

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 1345/4885TDP1 3540/4885TSHR 1383/4885

“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.