SCHEMBL2139547

SCHEMBL2139547

CCC(SCCCCCF)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CPB1 P15086 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL2132805 1.00 EPHX1 (0.37) EPHX1HTTPOLBMAPTGMNN
SCHEMBL2133054 1.00 EPHX1 (0.37) EPHX1HTTPOLBMAPTGMNN
SCHEMBL2132584 0.98 HTT (0.35) EPHX1HTTPOLBCPB1CA2
SCHEMBL2135935 0.92 HTT (0.36) EPHX1HTTPOLBMAPTCPB1
SCHEMBL2133430 0.86 EPHX1 (0.39) EPHX1POLBMAPTGMNNTP53
SCHEMBL2133009 0.86 EPHX1 (0.39) EPHX1POLBMAPTGMNNTP53
SCHEMBL2138375 0.86 EPHX1 (0.39) EPHX1POLBMAPTGMNNTP53
SCHEMBL9099779 0.85 EPHX1 (0.52) EPHX1POLBMAPTGMNNTP53
SCHEMBL9099579 0.85 EPHX1 (0.52) EPHX1POLBMAPTGMNNTP53
SCHEMBL3420845 0.85 EPHX1 (0.52) EPHX1POLBMAPTGMNNTP53

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 2018/4885HTT 1998/4885POLB 3794/4885

“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.