SCHEMBL6022728

SCHEMBL6022728

CCC(CC)Oc1cc(/C=C/C(=O)O)cc(OC(CC)CC)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.62
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
KDM4E B2RXH2 10/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTR1A P08908 1/20 0.50
HTR2C P28335 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CSNK2A2 P19784 1/20 0.47

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
SCHEMBL6022731 1.00 PKM (0.62) PKMPTGS1PTGS2KDM4EGAA
SCHEMBL6023357 0.81 KDM1A (0.57) ALOX5MMP2SMN1; SMN2KMT2AMEN1
SCHEMBL6023356 0.81 KDM1A (0.57) ALOX5MMP2SMN1; SMN2KMT2AMEN1
SCHEMBL27823448 0.80 PKM (0.68) PKMPTGS1PTGS2KDM4EGAA
SCHEMBL27823447 0.80 PKM (0.68) PKMPTGS1PTGS2KDM4EGAA
Sinapinate SCHEMBL37313 0.77 PKM (1.00) PKMPTGS1PTGS2KDM4EGAA
Sinapinate SCHEMBL27753908 0.77 PKM (1.00) PKMPTGS1PTGS2KDM4EGAA
Sinapinate SCHEMBL15515158 0.77 PKM (1.00) PKMPTGS1PTGS2KDM4EGAA
Sinapinate SCHEMBL37312 0.77 PKM (1.00) PKMPTGS1PTGS2KDM4EGAA
SCHEMBL6023509 0.77 KDM4E (0.66) PKMPTGS1PTGS2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078407-B2 4-hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-18 US disclosed
US-20030162789-A1 4-Hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-08-28 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-20030162789-A1 4-Hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them HTT, PARK7, NQO1 PKM 4160/4885PTGS1 1284/4885PTGS2 1397/4885

“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.