SCHEMBL5498955

SCHEMBL5498955

CCC=CC(OC(C)=O)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL5498954 1.00 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9422594 0.90 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9422593 0.90 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7100990 0.83 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7100986 0.83 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5452748 0.80 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7058772 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14224932 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7753852 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL30297387 0.80 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100336811-C Method for preparing 1-acetoxyl-3- (substituted phenyl) propylene compound UBE INDUSTRIES (JP) 2007-09-12 CN claimed
EP-1574509-B1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES UBE INDUSTRIES (JP) 2007-06-13 EP claimed
US-7173148-B2 Process for producing 1-acetoxy-3-(substituted phenyl)propene compound UBE INDUSTRIES, LTD. (JP) 2007-02-06 US claimed
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes UBE INDUSTRIES, LTD. (JP) 2006-03-30 US claimed
EP-1574509-A1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES Ube Industries, Ltd. (JP) 2005-09-14 EP claimed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
CN-100336811-C Method for preparing 1-acetoxyl-3- (substituted phenyl) propylene compound UBE INDUSTRIES (JP) 2007-09-12 CN disclosed
EP-1609775-B1 1-acetoxy-3-(substituted phenyl) propen compounds useful as an intermediate material UBE INDUSTRIES (JP) 2007-06-27 EP disclosed
EP-1574509-B1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES UBE INDUSTRIES (JP) 2007-06-13 EP disclosed
US-7173148-B2 Process for producing 1-acetoxy-3-(substituted phenyl)propene compound UBE INDUSTRIES, LTD. (JP) 2007-02-06 US disclosed
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes UBE INDUSTRIES, LTD. (JP) 2006-03-30 US disclosed
US-20060004213-A1 1-Acetoxy-3-(substituted phenyl)propene compounds UBE INDUSTRIES, LTD., A CORPORATION OF JAPAN (JP) 2006-01-05 US disclosed
EP-1609775-A2 1-acetoxy-3-(substituted phenyl) propen compounds useful as an intermediate material Ube Industries, Ltd. (JP) 2005-12-28 EP disclosed
EP-1574509-A1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES Ube Industries, Ltd. (JP) 2005-09-14 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 (3 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-20060004213-A1 1-Acetoxy-3-(substituted phenyl)propene compounds AKR1C3, P4HA1, AKR1C1 TSHR 3325/4885CHRM2 772/4885CHRM4 2144/4885
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 TSHR 621/4885CHRM2 1299/4885CHRM4 2767/4885
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes AKR1C4, PAH, AKR1C3 TSHR 1110/4885CHRM2 2415/4885CHRM4 2091/4885

“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.