SCHEMBL2138153

SCHEMBL2138153

CCCC(SCCCCC(C)(F)F)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX1 P07099 2/20 0.33
CES1 P23141 5/20 0.32
FAAH O00519 4/20 0.32
CES2 O00748 3/20 0.32
PLA2G6 O60733 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
SCHEMBL2138268 0.98 EPHX1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2137460 0.95 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2137907 0.92 HSD17B10 (0.41) HSD17B10CA2MAPK1EPHX1CES1
SCHEMBL2138592 0.91 HSD17B10 (0.40) HSD17B10CA2MAPK1EPHX1CES1
SCHEMBL2134714 0.89 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2138708 0.88 HSD17B10 (0.42) HSD17B10CA2MAPK1EPHX1CES1
SCHEMBL2134537 0.88 EPHX1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2134941 0.88 EPHX1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2136075 0.87 HTT (0.32) CA2MAPK1EPHX1CES1FAAH
SCHEMBL2133227 0.86 HSD17B10 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 CHRM1 761/4885AKR1A1 28/4885CHRM3 1659/4885

“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.