SCHEMBL2849129

SCHEMBL2849129

CCCCc1ccc(C=CC(=O)NCc2ccc(O)c(OC)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.60
ACHE P22303 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57

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
SCHEMBL2849126 1.00 TYR (0.60) TYRACHEHDAC1HDAC6ALDH1A1
SCHEMBL2858997 0.96 CYP1A2 (0.61) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2858994 0.96 CYP1A2 (0.61) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2859265 0.93 TYR (0.61) TYRACHEHDAC1HDAC6
SCHEMBL2859270 0.93 TYR (0.61) TYRACHEHDAC1HDAC6
SCHEMBL2847215 0.89 TYR (0.61) TYRACHEHDAC1HDAC6
SCHEMBL2847211 0.89 TYR (0.61) TYRACHEHDAC1HDAC6
SCHEMBL802713 0.88 ABCB1 (0.65) TYRACHEHDAC1HDAC6
SCHEMBL12299018 0.87 TYR (0.73) TYRACHEHDAC1HDAC6ALDH1A1
SCHEMBL1916293 0.87 TYR (0.73) TYRACHEHDAC1HDAC6ALDH1A1

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 TYR 227/4885ACHE 2638/4885HDAC1 454/4885

“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.