SCHEMBL5009150

SCHEMBL5009150

CCCOCC(C(=O)OCCC)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
PLA2G2C Q5R387 3/20 0.37
TDP1 Q9NUW8 2/20 0.35
CES2 O00748 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
FAAH O00519 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 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
SCHEMBL5006401 0.86 PLA2G2C (0.44) PLA2G2CCES2HCAR2ALDH1A1USP2
SCHEMBL5009224 0.84 PLA2G2C (0.50) PLA2G2CCES2USP2FAAHCYP1A2
SCHEMBL20995948 0.83 HSD17B10 (0.42) HSD17B10PLA2G2CTDP1HCAR2ALDH1A1
SCHEMBL6116274 0.82 HCAR2 (0.35) PLA2G2CTDP1CES2HCAR2ALDH1A1
SCHEMBL13994931 0.81 PLA2G2C (0.38) HSD17B10PLA2G2CTDP1CES2FAAH
SCHEMBL6116404 0.81 HDAC1 (0.35) TDP1CES2HCAR2ALDH1A1LMNA
SCHEMBL5006264 0.80 TSHR (0.33) PLA2G2CALDH1A1CYP3A4TSHR
SCHEMBL6115904 0.78 CA2 (0.43) PLA2G2CTDP1CES2ALDH1A1LMNA
SCHEMBL5008256 0.77 ALDH1A1 (0.36) HSD17B10ALDH1A1LMNATSHR
SCHEMBL6116291 0.76 MAPT (0.43) HSD17B10PLA2G2CCES2LMNAUSP2

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 HSD17B10 449/4885PLA2G2C 3094/4885TDP1 1716/4885

“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.