SCHEMBL12246761

SCHEMBL12246761

Cc1cc(CCC(=O)OCCc2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.83
YWHAG P61981 1/20 0.64
IAPP P10997 3/20 0.51
ALOX5 P09917 2/20 0.50
CYP19A1 P11511 1/20 0.46
TYR P14679 1/20 0.46
MET P08581 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL7568170 0.91 APP (1.00) APPYWHAGIAPPALOX5CYP19A1
SCHEMBL26049263 0.88 APP (0.63) APPYWHAGIAPPALOX5TDP1
SCHEMBL12246764 0.85 APP (0.88) APPYWHAGIAPPALOX5CYP19A1
SCHEMBL1549436 0.85 CYP4F2 (0.61) APPYWHAGIAPPALOX5ESR1
SCHEMBL27558178 0.84 APP (0.58) APPYWHAGIAPPTDP1ESR1
SCHEMBL490480 0.84 APP (1.00) APPYWHAGIAPPALOX5TDP1
SCHEMBL12626243 0.84 APP (0.58) APPYWHAGIAPPALOX5TDP1
Hydroxytyrosol Butanoate SCHEMBL17299395 0.84 APP (0.79) APPYWHAGIAPPALOX5MET
Hydroxytyrosol Butanoate SCHEMBL31729490 0.84 APP (0.79) APPYWHAGIAPPALOX5MET
SCHEMBL12300533 0.83 APP (0.78) APPYWHAGALOX5METLMNA

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 APP 2129/4885YWHAG 602/4885IAPP 4863/4885
US-20130272983-A1 Para-Coumaric Acid or Para-Hydroxycinnamic Acid Derivatives and their Use in Cosmetic or Dermatological Compositions TYR, CUTA, HPD APP 2180/4885YWHAG 580/4885IAPP 4870/4885

“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.