SCHEMBL2138268

SCHEMBL2138268

CCCC(SCCCCCC(C)(F)F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
FAAH O00519 4/20 0.34
CES1 P23141 4/20 0.34
CES2 O00748 3/20 0.34
MAPT P10636 2/20 0.34
PLA2G6 O60733 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 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
SCHEMBL2138153 0.98 CHRM1 (0.33) EPHX1FAAHCES1CES2MAPT
SCHEMBL2137460 0.94 CHRM1 (0.34) EPHX1CES1MAPTHSD17B10CA2
SCHEMBL2138592 0.93 HSD17B10 (0.40) EPHX1FAAHCES1CES2MAPT
SCHEMBL2137907 0.91 HSD17B10 (0.41) EPHX1FAAHCES1CES2MAPT
SCHEMBL2134537 0.89 EPHX1 (0.36) EPHX1FAAHCES1CES2MAPT
SCHEMBL2134941 0.89 EPHX1 (0.36) EPHX1FAAHCES1CES2MAPT
SCHEMBL2134714 0.88 CHRM1 (0.34) EPHX1FAAHCES1CES2MAPT
SCHEMBL2135466 0.88 EPHX1 (0.33) EPHX1FAAHCES1CES2PLA2G6
SCHEMBL2134788 0.87 EPHX1 (0.34) EPHX1FAAHCES1CES2MAPT
SCHEMBL2138708 0.86 HSD17B10 (0.42) EPHX1CES1MAPTHSD17B10CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.