SCHEMBL5006401

SCHEMBL5006401

CCCCOCC(C(=O)OCCCC)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 4/20 0.44
ALDH1A1 P00352 1/20 0.42
CES2 O00748 1/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
FAAH O00519 1/20 0.36
USP2 O75604 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
ESR1 P03372 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL5009224 0.95 PLA2G2C (0.50) PLA2G2CCES2FAAHUSP2NAAA
SCHEMBL5009150 0.86 HSD17B10 (0.41) PLA2G2CALDH1A1CES2TSHRFAAH
SCHEMBL6115912 0.84 ALDH1A1 (0.47) ALDH1A1CES2ATMTSHRHPGD
SCHEMBL6116720 0.82 ALDH1A1 (0.45) ALDH1A1CES2ATMTSHRHPGD
SCHEMBL6116580 0.82 ALDH1A1 (0.45) ALDH1A1CES2ATMTSHRHPGD
SCHEMBL13994931 0.82 PLA2G2C (0.38) PLA2G2CCES2ATMTSHRFAAH
SCHEMBL6117438 0.81 ALDH1A1 (0.44) ALDH1A1CES2ATMTSHRHPGD
SCHEMBL6116559 0.79 MAPT (0.46) ALDH1A1CES2ATMTSHRHPGD
SCHEMBL20995906 0.79 ALDH1A1 (0.42) PLA2G2CALDH1A1ATMTSHRHPGD
SCHEMBL6117225 0.79 MAPT (0.46) ALDH1A1CES2ATMTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637514-B1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE TOSOH F TECH INC (JP) 2014-05-07 EP disclosed
US-7470808-B2 Method for producing fluorine-containing acrylate TOSOH F-TECH, INC. (JP) 2008-12-30 US disclosed
US-7470808-B2 Method for producing fluorine-containing acrylate TOSOH F-TECH, INC. (JP) 2008-12-30 US disclosed
US-20060122423-A1 Method for producing fluorine-containing acrylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2006-06-08 US disclosed
EP-1637514-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE Tosoh F-Tech, Inc. (JP) 2006-03-22 EP 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-20060122423-A1 Method for producing fluorine-containing acrylate AFF4, CBR1, AFF1 PLA2G2C 3094/4885ALDH1A1 174/4885CES2 185/4885

“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.