SCHEMBL5863337

SCHEMBL5863337

CCOC(=O)C1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PDK2 Q15119 3/20 0.39
MTTP P55157 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17051234 0.87 ALDH1A1 (0.46) GLAALDH1A1MAPTPDK2CTDSP1
SCHEMBL7045213 0.86 MTTP (0.39) ALDH1A1MAPTPDK2MTTP
SCHEMBL17051232 0.81 TSHR (0.43) GLAALDH1A1MAPTPDK2CTDSP1
SCHEMBL11704243 0.80 BRD4 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL5863723 0.79 THRB (0.46) PDK2MTTP
SCHEMBL11091509 0.79 ALDH1A1 (0.42) GLAALDH1A1MAPTMTTPMEN1
SCHEMBL17050250 0.79 APEX1 (0.43) GLAALDH1A1MAPTPDK2CTDSP1
SCHEMBL5863866 0.78 APEX1 (0.40) PDK2MTTPKMT2A
SCHEMBL6777657 0.78 APEX1 (0.40) MTTP
Hydrochloric Acid SCHEMBL6777668 0.78 THRB (0.44) PDK2MTTP

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 GLA 1393/4885ALDH1A1 1345/4885MAPT 4733/4885

“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.