SCHEMBL12445294

SCHEMBL12445294

CC(=O)OCC(F)(F)C(F)(F)COC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5356743 0.90 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TDP1CHRM5
SCHEMBL16213957 0.87 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TDP1CHRM5
SCHEMBL12445290 0.87 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TDP1CHRM5
SCHEMBL5704616 0.85 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TDP1CHRM5
SCHEMBL12939411 0.85 TDP1 (0.37) ALDH1A1LMNAHSD17B10TDP1HTT
SCHEMBL18031805 0.85 TSHR (0.44) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL14715844 0.84 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TDP1CHRM5
SCHEMBL6876173 0.83 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TDP1CHRM5
SCHEMBL333504 0.83
SCHEMBL26363838 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348010-B1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND NIPPON SODA CO (JP) 2014-02-26 EP disclosed
US-8481774-B2 Method for producing tetrafluoro compound NIPPON SODA CO., LTD. (JP) 2013-07-09 US disclosed
US-8481774-B2 Method for producing tetrafluoro compound NIPPON SODA CO., LTD. (JP) 2013-07-09 US disclosed
EP-2348010-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND Nippon Soda Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178323-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND NIPPON SODA CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178323-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND NIPPON SODA CO., LTD. (JP) 2011-07-21 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-20110178323-A1 METHOD FOR PRODUCING TETRAFLUORO COMPOUND F9, CA9, TAF9 ALDH1A1 3848/4885LMNA 4472/4885HSD17B10 3663/4885

“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.