SCHEMBL2136930

SCHEMBL2136930

CCCCCC(SCCCCC(C)(F)F)C(=O)OCCC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
FAAH O00519 4/20 0.33
CES1 P23141 4/20 0.33
CES2 O00748 4/20 0.33
MAPT P10636 1/20 0.33
PLA2G6 O60733 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.31
ACHE P22303 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
SCHEMBL2135177 0.99 EPHX1 (0.36) EPHX1FAAHCES1CES2MAPT
SCHEMBL2137568 0.96 CA1 (0.36) EPHX1FAAHCES1CES2PLA2G6
SCHEMBL2134451 0.96 MAPT (0.34) EPHX1FAAHCES1CES2MAPT
SCHEMBL2133826 0.95 EPHX1 (0.34) EPHX1FAAHCES1CES2MAPT
SCHEMBL2136228 0.95 CA1 (0.36) EPHX1FAAHCES1CES2MAPT
SCHEMBL2138748 0.94 EPHX1 (0.36) EPHX1FAAHCES1CES2MAPT
SCHEMBL2136969 0.92 HDAC3 (0.33) CA1CA2
SCHEMBL2134629 0.92 CA2 (0.37) EPHX1CES1CA1CA2
SCHEMBL2137452 0.91 HDAC3 (0.32) EPHX1FAAHCES1CES2PLA2G6
SCHEMBL2133974 0.91 EPHX1 (0.35) EPHX1FAAHCES1CES2MAPT

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
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 EPHX1 2018/4885FAAH 359/4885CES1 126/4885

“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.