SCHEMBL2858997

SCHEMBL2858997

CCCCCCCCc1ccc(C=CC(=O)NCc2ccc(O)c(OC)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
CYP2C19 P33261 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
TRPV1 Q8NER1 3/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
MTOR P42345 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL2858994 1.00 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL2849126 0.96 TYR (0.60) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL2849129 0.96 TYR (0.60) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL2859265 0.91 TYR (0.61) TRPV1
SCHEMBL2859270 0.91 TYR (0.61) TRPV1
SCHEMBL2847211 0.87 TYR (0.61) TRPV1
SCHEMBL2847215 0.87 TYR (0.61) TRPV1
SCHEMBL802713 0.86 ABCB1 (0.65) TRPV1
SCHEMBL12299018 0.85 TYR (0.73) CYP1A2CYP3A4CYP2D6HPGDALDH1A1
SCHEMBL1916293 0.85 TYR (0.73) CYP1A2CYP3A4CYP2D6HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778622-B1 PARA-ALKYL-SUBSTITUTED N-(4-HYDROXY-3-METHOXY-BENZYL) CINNAMAMIDES AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-13 EP claimed
US-7541495-B2 para-alkyl-substituted N-(4-hydroxy-3-methoxy-benzyl)-cinnamamides, pharmaceutical compositions and uses thereof GRUENENTHAL GMBH (DE) 2009-06-02 US claimed
US-20070208083-A1 Alkyl-substituted N-(4-hydroxy-3-methoxy-benzyl)-cinnamamides, pharmaceutical compositions and uses thereof GRUENENTHAL GMBH (DE) 2007-09-06 US claimed
US-7541495-B2 para-alkyl-substituted N-(4-hydroxy-3-methoxy-benzyl)-cinnamamides, pharmaceutical compositions and uses thereof GRUENENTHAL GMBH (DE) 2009-06-02 US disclosed
US-20070208083-A1 Alkyl-substituted N-(4-hydroxy-3-methoxy-benzyl)-cinnamamides, pharmaceutical compositions and uses thereof GRUENENTHAL GMBH (DE) 2007-09-06 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-20070208083-A1 Alkyl-substituted N-(4-hydroxy-3-methoxy-benzyl)-cinnamamides, pharmaceutical compositions and uses thereof CES2, GAA, EGLN3 CYP1A2 186/4885CYP3A4 85/4885CYP2D6 269/4885

“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.