SCHEMBL2136500

SCHEMBL2136500

CCOC(=O)C(SCCCCCC(F)(F)F)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
CES2 O00748 3/20 0.33
HTT P42858 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.30
FAAH O00519 4/20 0.30
CES1 P23141 4/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
PLA2G6 O60733 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2134936 1.00 EPHX1 (0.34) EPHX1CYP4F2CYP4A11CES2HTT
SCHEMBL2134784 0.98 EPHX1 (0.32) EPHX1CYP4F2CYP4A11CES2HTT
SCHEMBL2135791 0.94 ALDH1A1 (0.32) EPHX1KMT2AALDH1A1HPGD
SCHEMBL2136005 0.90 CYP4F2 (0.36) EPHX1CYP4F2CYP4A11CES2HTT
SCHEMBL2135829 0.89 EPHX1 (0.33) EPHX1CYP4F2CYP4A11CES2HTT
SCHEMBL2136104 0.89 EPHX1 (0.36) EPHX1CES2CYSLTR2CYSLTR1FAAH
SCHEMBL2141018 0.89 EPHX1 (0.36) EPHX1CES2CYSLTR2CYSLTR1FAAH
SCHEMBL2137652 0.88 CYP4F2 (0.33) EPHX1CYP4F2CYP4A11KMT2AALDH1A1
SCHEMBL2136914 0.88 ALDH1A1 (0.33) EPHX1KMT2AALDH1A1
SCHEMBL2136068 0.87 EPHX1 (0.38) EPHX1CES2ATMALDH1A1FAAH

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 2018/4885CYP4F2 132/4885CYP4A11 858/4885

“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.