SCHEMBL5606283

SCHEMBL5606283

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL28640671 0.86 GAA (0.35) GAAALDH1A1
Adipic Acid SCHEMBL3836199 0.84 ABCC4 (0.42) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL1270028 0.79
SCHEMBL18643178 0.75
SCHEMBL8650247 0.74 ALDH1A1 (0.36) GAAALDH1A1HSD17B10TDP1TSHR
SCHEMBL11788965 0.74 GAA (0.41) GAAALDH1A1TSHR
SCHEMBL8565712 0.73 GAA (0.37) GAAALDH1A1
SCHEMBL21847351 0.73 GAA (0.37) GAAALDH1A1TSHR
SCHEMBL11372749 0.73 GAA (0.37) GAAALDH1A1
SCHEMBL10752968 0.73 GAA (0.37) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1116267-C Process for producing branched aldehydes KURARAY CO (JP) 2003-07-30 CN disclosed
EP-0883594-A1 PROCESS FOR THE PRODUCTION OF 1,2-DIACETOXY ESTERS EASTMAN CHEMICAL COMPANY (US) 1998-12-16 EP disclosed
CN-1197788-A Process for producing branched aldehydes KURARAY CO (JP) 1998-11-04 CN disclosed
WO-1997031885-A1 PROCESS FOR THE PRODUCTION OF 1,2-DIACETOXY ESTERS EASTMAN CHEMICAL COMPANY (US) 1997-09-04 WO disclosed
CN-1028635-C Process for preparation of hexene-1,6-diacid RHONE POULENC CHIMIE (FR) 1995-05-31 CN disclosed
CN-1046734-A Hexene-1,6-diacid preparation method RHONE POULENC CHIMIE (FR) 1990-11-07 CN 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-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes AKR1C4, PAH, AKR1C3 GAA 2410/4885ALDH1A1 239/4885HSD17B10 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.