SCHEMBL12445284

SCHEMBL12445284

CC(=O)OCCC#CCCOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CHRM1 P11229 3/20 0.48
CHRM5 P08912 2/20 0.48
CHRM3 P20309 2/20 0.48
TSHR P16473 2/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
HTR1A P08908 1/20 0.48
CHRNB2 P17787 1/20 0.48
TBXA2R P21731 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
GALR3 O60755 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL10630370 0.91 ALDH1A1 (0.54) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL12445286 0.91 ALDH1A1 (0.43) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL10901295 0.91 ALDH1A1 (0.48) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL27943807 0.87
SCHEMBL965754 0.85
SCHEMBL17965706 0.85
SCHEMBL4968394 0.84 ALDH1A1 (0.41) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL2167770 0.83 ALDH1A1 (0.41) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL15775458 0.83 ALDH1A1 (0.38) ALDH1A1CHRM1CHRM5CHRM3TSHR
SCHEMBL967271 0.81

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-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

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 3848/4885CHRM1 2729/4885CHRM5 1548/4885

“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.