SCHEMBL2135444

SCHEMBL2135444

CCCCC(SCCCC(F)CCC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.40
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 8/20 0.36
PPARG P37231 8/20 0.36
PPARA Q07869 3/20 0.35
PTGES O14684 6/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2134399 0.93 MAPT (0.38) HSD17B10MAPTCA2MAPK1CHRM1
SCHEMBL2138762 0.90 HSD17B10 (0.43) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL2136424 0.89 MAPT (0.37) HSD17B10MAPTCA2MAPK1CHRM1
SCHEMBL2136907 0.86 MAPT (0.42) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL2135934 0.85 HSD17B10 (0.43) HSD17B10MAPTCA2MAPK1ALOX5
SCHEMBL2132647 0.85 MAPT (0.37) HSD17B10MAPTCA2MAPK1CHRM1
SCHEMBL2134437 0.84 FOLH1 (0.35) HSD17B10MAPTALOX5PPARGCHRM1
SCHEMBL2137775 0.83 CA1 (0.33) HSD17B10MAPTCA2ALOX5PPARG
SCHEMBL2133246 0.83 CA1 (0.42) HSD17B10MAPTCA2HDAC2EPHX1
SCHEMBL2136303 0.82 MAPT (0.44) HSD17B10MAPTCA2MAPK1ALOX5

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.