SCHEMBL6809648

SCHEMBL6809648

COC(=O)C(C(=O)OC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
LDHA P00338 2/20 0.46
LDHB P07195 2/20 0.46
PDE2A O00408 2/20 0.45
EPHX2 P34913 1/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
CFTR P13569 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL7934481 0.91 AKR1C3 (0.47) ALDH1A1MAPK1CES2CES1LDHA
SCHEMBL1043699 0.86 NPSR1 (0.49) CES2CES1EPHX2
SCHEMBL1566691 0.84 CES2 (0.59) CES2CES1LDHALDHBPDE2A
SCHEMBL8078579 0.84 HPGD (0.50) CES2CES1LDHALDHBPDE2A
SCHEMBL6676161 0.84 CES2 (0.59) CES2CES1LDHALDHBPDE2A
SCHEMBL1566692 0.84 CES2 (0.59) CES2CES1LDHALDHBPDE2A
SCHEMBL8084530 0.84 CES2 (0.46) CES2CES1LDHALDHBPDE2A
SCHEMBL3100510 0.82 CYP1A1 (0.50) ALDH1A1MAPK1CES2CES1LDHA
SCHEMBL3964967 0.82 CES2 (0.45) CES2CES1LDHALDHBPDE2A
SCHEMBL12282201 0.82 CES2 (0.45) CES2CES1LDHALDHBPDE2A

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
US-20040209202-A1 Fluorinated oxyvinyl compounds HONEYWELL INTERNATIONAL INC. 2004-10-21 US disclosed
US-6743943-B2 USEFUL IN MAKING PROTECTIVE COATINGS, RELEASE COATINGS, SURFACTANTS, ANTICORROSION AGENTS, AND ANTIOXIDIZING AGENTS FOR FIBER OPTICS, WAVEGUIDES; PHOTOCURING HONEYWELL INTERNATIONAL INC. 2004-06-01 US disclosed
US-20010034458-A1 Polymerizable halogenated vinyl ethers ALLIEDSIGNAL INC. 2001-10-25 US disclosed
EP-1140759-A1 POLYMERIZABLE HALOGENATED VINYL ETHERS AlliedSignal Inc. (US) 2001-10-10 EP disclosed
WO-2000037403-A1 POLYMERIZABLE HALOGENATED VINYL ETHERS ALLIEDSIGNAL INC. (US) 2000-06-29 WO 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-20010034458-A1 Polymerizable halogenated vinyl ethers NCEH1, ECH1, CFH ALDH1A1 2215/4885MAPK1 2155/4885CES2 22/4885

“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.