SCHEMBL12246735

SCHEMBL12246735

COc1cc(CNC(=O)/C=C/c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.63
ACHE P22303 1/20 0.62
TRPV1 Q8NER1 1/20 0.61
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
MMP9 P14780 2/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
PTGES O14684 1/20 0.57
CA12 O43570 1/20 0.57
DYRK3 O43781 1/20 0.57
PLIN1 O60240 1/20 0.57
KDM1A O60341 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
SCHEMBL1916293 0.93 TYR (0.73) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL12299018 0.93 TYR (0.73) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL7523925 0.91 TYR (0.71) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL7523933 0.91 TYR (0.71) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL2853919 0.89 MAPT (0.65) TYRACHETRPV1HDAC3HDAC1
SCHEMBL2853922 0.89 MAPT (0.65) TYRACHETRPV1HDAC3HDAC1
SCHEMBL7521409 0.88 TYR (0.79) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL7521416 0.88 TYR (0.79) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL802713 0.88 ABCB1 (0.65) TYRACHETRPV1HDAC3HDAC1
SCHEMBL2847211 0.87 TYR (0.61) TYRACHETRPV1HDAC3HDAC1

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-9089499-B2 Para-coumaric acid or para-hydroxycinnamic acid derivatives and their use in cosmetic or dermatological compositions UNIVERSITE JOSEPH FOURIER-GRENOBLE 1 (FR) 2015-07-28 US disclosed
US-20130272983-A1 Para-Coumaric Acid or Para-Hydroxycinnamic Acid Derivatives and their Use in Cosmetic or Dermatological Compositions Universite Joseph Fourier-Grenoble 1. (FR) 2013-10-17 US disclosed
US-8481593-B2 Para-coumaric acid or para-hydroxycinnamic acid derivatives and their use in cosmetic or dermatological compositions BASF BEAUTY CARE SOLUTIONS S.A.S. (FR) 2013-07-09 US disclosed
US-20110237551-A1 Para-Coumaric Acid or Para-Hydroxycinnamic Acid Derivatives and Their Use in Cosmetic or Dermatological Compositions BASF BEAUTY CARE SOLUTIONS FRANCE S.A.S. (FR) 2011-09-29 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 (2 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-20110237551-A1 Para-Coumaric Acid or Para-Hydroxycinnamic Acid Derivatives and Their Use in Cosmetic or Dermatological Compositions TYR, CUTA, HPD TYR 1/4885ACHE 1052/4885TRPV1 1020/4885
US-20130272983-A1 Para-Coumaric Acid or Para-Hydroxycinnamic Acid Derivatives and their Use in Cosmetic or Dermatological Compositions TYR, CUTA, HPD TYR 1/4885ACHE 1070/4885TRPV1 989/4885

“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.