SCHEMBL13865656

SCHEMBL13865656

CC(=O)Oc1cc(O)c(/C=C/C(=O)O)c(OC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 1/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHRNA7 P36544 1/20 0.42
PKM P14618 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
SNCA P37840 1/20 0.40
CA7 P43166 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL12506984 0.91 ALDH1A1 (0.51) AKR1C3AKR1C2KDM4EALDH1A1SMN1; SMN2
SCHEMBL13778847 0.84 ALDH1A1 (0.51) AKR1C3AKR1C2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2342658 0.81 ERN1 (0.57) KDM4EALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL12414900 0.78 ALDH1A1 (0.70) AKR1C3AKR1C2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2096627 0.72 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL2096629 0.72 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL22982403 0.72 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2PKMMAPT
SCHEMBL344620 0.71 AKR1C3 (0.52) AKR1C3AKR1C2KDM4EALDH1A1SMN1; SMN2
SCHEMBL344708 0.71 BACE1 (0.54) AKR1C3AKR1C2KDM4EALDH1A1SMN1; SMN2
SCHEMBL344709 0.71 BACE1 (0.54) AKR1C3AKR1C2KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534751-B2 3-(2-hydroxyphenyl)-2-propenamides that react to form a lactone and an amine; laundry detergents, perfumes, shampoos and hair conditioners THE PROCTER & GAMBLE COMPANY (US) 2009-05-19 US disclosed
US-7534751-B2 3-(2-hydroxyphenyl)-2-propenamides that react to form a lactone and an amine; laundry detergents, perfumes, shampoos and hair conditioners THE PROCTER & GAMBLE COMPANY (US) 2009-05-19 US disclosed
US-20080171681-A1 3-(2-hydroxyphenyl)-2-propenamides that react to form a lactone and an amine; laundry detergents, perfumes, shampoos and hair conditioners DYKSTRA ROBERT RICHARD 2008-07-17 US disclosed
US-20080171681-A1 3-(2-hydroxyphenyl)-2-propenamides that react to form a lactone and an amine; laundry detergents, perfumes, shampoos and hair conditioners DYKSTRA ROBERT RICHARD 2008-07-17 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-20080171681-A1 3-(2-hydroxyphenyl)-2-propenamides that react to form a lactone and an amine; laundry detergents, perfumes, shampoos and hair conditioners CUTA, PSAP, PSENEN AKR1C3 727/4885AKR1C2 1401/4885KDM4E 2468/4885

“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.