SCHEMBL5961135

SCHEMBL5961135

CCCCCC([O])OCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
CA1 P00915 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
FAAH O00519 4/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FDPS P14324 1/20 0.34
SMPD1 P17405 3/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL1259885 0.93 ALDH1A1 (0.38) OPRM1CA1ZDHHC7ALDH1A1FDPS
SCHEMBL5961097 0.89 OPRM1 (0.38) OPRM1CA1ZDHHC7TP53LCK
SCHEMBL10427412 0.88 DNM1 (0.42) OPRM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL2670779 0.84 DNM1 (0.45) OPRM1CA1ZDHHC7LCKPPARD
SCHEMBL2671272 0.84 ZDHHC7 (0.41) OPRM1CA1ZDHHC7TP53LCK
SCHEMBL5961045 0.84 ALDH1A1 (0.41) CA1ALDH1A1
SCHEMBL2670949 0.84 ZDHHC7 (0.41) OPRM1CA1ZDHHC7ALDH1A1LCK
SCHEMBL7269445 0.83 DNM1 (0.42) CA1
SCHEMBL5961136 0.83 ALOX5 (0.33) CA1ALDH1A1FDPSSMPD1ALOX5
SCHEMBL6421591 0.83 OPRM1 (0.39) OPRM1CA1ZDHHC7TP53LCK

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 OPRM1 2276/4885CA1 613/4885ZDHHC7 564/4885

“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.