SCHEMBL5961008

SCHEMBL5961008

CCCCCC([O])OC(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CA2 P00918 1/20 0.34
FDPS P14324 5/20 0.33
SMPD1 P17405 3/20 0.33
OPRM1 P35372 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
CA1 P00915 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL5961063 0.94 CA2 (0.35) CA2FDPSCA1ALDH1A1TSHR
SCHEMBL5961011 0.85 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL4030538 0.83 SMPD1 (0.39) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL5961087 0.76 CA2 (0.38) CA2FDPSSMPD1CA1TSHR
SCHEMBL5961122 0.75 TSHR (0.39) ALDH1A1TSHRTDP1
SCHEMBL5961051 0.71 ZDHHC7 (0.36) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL628899 0.70
SCHEMBL7833773 0.70 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL2670949 0.69 ZDHHC7 (0.41) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL5086757 0.69 ZDHHC7 (0.50) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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 ZDHHC7 564/4885LCK 1376/4885PPARD 1604/4885

“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.