SCHEMBL3285653

SCHEMBL3285653

C=C(CCOC(C)=O)OC(=C)CCOC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 4/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
GALR3 O60755 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL11570210 0.95 HSD17B10 (0.46) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL3310904 0.82 THRB (0.53) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL28381521 0.81 ALDH1A1 (0.44) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL1269971 0.80
SCHEMBL21518308 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL31509564 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL29001937 0.78 ALDH1A1 (0.46) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL17124654 0.77 HSD17B10 (0.48) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL10726944 0.76 ALDH1A1 (0.59) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL18092839 0.76 HSD17B10 (0.41) ALDH1A1TSHRCHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752463-B1 NOVEL FLUORINATED ALKYLFLUOROPHOSPHORIC ACID SALT OF ONIUM AND TRANSITION METAL COMPLEX SAN APRO LTD (JP) 2013-07-17 EP disclosed
US-7709598-B2 Fluorinated alkyl fluorophoshoric acid salts of onium and transition metal complex SAN-APRO LIMITED (JP) 2010-05-04 US disclosed
US-20070225458-A1 Novel Fluorinated Alkyl Fluorophosphoric Acid Salts of Onium and Ttransition Metal Complex SAN-APRO LIMITED (JP) 2007-09-27 US disclosed
EP-1106639-B1 PHOTOCURABLE COMPOSITION CONTAINING IODONIUM SALT COMPOUND NIPPON SODA CO (JP) 2007-08-29 EP disclosed
EP-1752463-A1 NOVEL FLUORINATED ALKYLFLUOROPHOSPHORIC ACID SALT OF ONIUM AND TRANSITION METAL COMPLEX San-Apro Limited (JP) 2007-02-14 EP disclosed
US-6558871-B1 Photopolymerization initiator comprising at least one of diaryliodonium salt NIPPON SODA CO. LTD. (JP) 2003-05-06 US disclosed
EP-1106639-A1 PHOTOCURABLE COMPOSITION CONTAINING IODONIUM SALT COMPOUND NIPPON SODA CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0143380-B1 PHOTORESIST COMPOSITION CIBA-GEIGY AG (CH) 1989-02-15 EP disclosed
EP-0143380-A2 Photoresist composition CIBA-GEIGY AG (CH) 1985-06-05 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-20070225458-A1 Novel Fluorinated Alkyl Fluorophosphoric Acid Salts of Onium and Ttransition Metal Complex AS3MT, TTR, PFAS ALDH1A1 3745/4885TSHR 753/4885CHRM5 3105/4885

“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.