SCHEMBL5961136

SCHEMBL5961136

CCCCC([O])OCCCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
DNM1 Q05193 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
SMPD1 P17405 3/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5961097 0.94 OPRM1 (0.38) DNM1LMNACA1SMPD1
SCHEMBL1259885 0.89 ALDH1A1 (0.38) ALOX5PPARGDNM1ALDH1A1CA1
SCHEMBL5961100 0.89 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL6030032 0.89 LMNA (0.36) ALDH1A1LMNA
SCHEMBL7269445 0.88 DNM1 (0.42) DNM1CA1CA2
SCHEMBL10427412 0.88 DNM1 (0.42) DNM1SMPD1
SCHEMBL2670936 0.86 CYP3A4 (0.39) DNM1ALDH1A1CA1CA2TSHR
SCHEMBL9736432 0.85 HTT (0.40) DNM1SMPD1
SCHEMBL6033004 0.85 DNM1 (0.44) DNM1CA1CA2SMPD1
SCHEMBL6031632 0.84 LMNA (0.44) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 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-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 ALOX5 216/4885PPARG 868/4885DNM1 1766/4885

“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.