SCHEMBL5495241

SCHEMBL5495241

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 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
SCHEMBL9997465 0.82 TSHR (0.37) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL18210999 0.77 TSHR (0.37) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL2527827 0.74 TSHR (0.48) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL9997522 0.71 TSHR (0.46) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL9997524 0.71 TSHR (0.46) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL2050715 0.70 TSHR (0.43) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL5547176 0.69
SCHEMBL9997595 0.68 TSHR (0.48) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL9997689 0.68 TSHR (0.42) TSHRTDP1HSD17B10CHRM2CHRM4
SCHEMBL11599541 0.68 TSHR (0.37) TSHRTDP1HSD17B10CHRM2CHRM4

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 19 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
CN-1738811-A Method for preparing 1-acetoxyl-3- (substituted phenyl) propylene compound UBE INDUSTRIES (JP) 2006-02-22 CN 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-100415734-C 1-acetoxy-3- (substituted phenyl) propen compounds UBE INDUSTRIES (JP) 2008-09-03 CN 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
CN-1807423-A 1-acetoxy-3- (substituted phenyl) propen compounds UBE INDUSTRIES (JP) 2006-07-26 CN disclosed
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes UBE INDUSTRIES, LTD. (JP) 2006-03-30 US disclosed
CN-1738811-A Method for preparing 1-acetoxyl-3- (substituted phenyl) propylene compound UBE INDUSTRIES (JP) 2006-02-22 CN 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 3325/4885TDP1 3554/4885HSD17B10 141/4885
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 621/4885TDP1 1635/4885HSD17B10 317/4885
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes AKR1C4, PAH, AKR1C3 TSHR 1110/4885TDP1 2863/4885HSD17B10 1456/4885

“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.