SCHEMBL2137328

SCHEMBL2137328

CCCCC(SCCC(F)F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.43
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 6/20 0.38
PPARG P37231 6/20 0.38
PPARA Q07869 4/20 0.38
PTGES O14684 4/20 0.37
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 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
FDPS P14324 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33

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
SCHEMBL2136303 0.90 MAPT (0.44) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL2132835 0.89 CHRM1 (0.40) HSD17B10MAPTCA2MAPK1PPARA
SCHEMBL2137451 0.88 MAPT (0.47) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL2136539 0.88 MAPT (0.47) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL7512538 0.85 HSD17B10 (0.50) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL2134235 0.83 HTT (0.36) MAPTCA2MAPK1CHRM1AKR1A1
SCHEMBL2135934 0.83 HSD17B10 (0.43) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL2134354 0.82 HSD17B10 (0.46) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL7515985 0.81 EPHX1 (0.50) HSD17B10MAPTCA2MAPK1GPR84
SCHEMBL14566012 0.81 EPHX1 (0.50) HSD17B10MAPTCA2MAPK1GPR84

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 HSD17B10 232/4885MAPT 4195/4885CA2 737/4885

“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.