SCHEMBL12246715

SCHEMBL12246715

O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 1.00
CA7 P43166 6/20 1.00
CA9 Q16790 6/20 1.00
CA14 Q9ULX7 6/20 1.00
MET P08581 6/20 1.00
CA4 P22748 5/20 1.00
CA6 P23280 5/20 1.00
CA5A P35218 5/20 1.00
CA5B Q9Y2D0 5/20 1.00
CA1 P00915 4/20 1.00
AKR1B10 O60218 7/20 0.86
AKR1B1 P15121 7/20 0.86
MAOB P27338 1/20 0.86
HTR7 P34969 1/20 0.70
APP P05067 3/20 0.65
CA2 P00918 1/20 0.64
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 2/20 0.62
ALOX12 P18054 2/20 0.62
MAPK1 P28482 2/20 0.62

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
SCHEMBL12246694 0.93 CA12 (0.86) CA12CA7CA9CA14MET
SCHEMBL7377862 0.92 AKR1B10 (1.00) CA12CA7CA9CA14MET
SCHEMBL7377864 0.92 AKR1B10 (1.00) CA12CA7CA9CA14MET
Tyrosol Caffeate SCHEMBL30977097 0.89 CA12 (0.86) CA12CA7CA9CA14MET
Tyrosol Caffeate SCHEMBL12246677 0.89 CA12 (0.86) CA12CA7CA9CA14MET
SCHEMBL15364314 0.86 MET (0.75) CA12CA7CA9CA14MET
SCHEMBL15364305 0.86 MET (0.75) CA12CA7CA9CA14MET
SCHEMBL12246706 0.85 MET (0.74) CA12CA7CA9CA14MET
SCHEMBL6395001 0.84 CA12 (0.72) CA12CA7CA9CA14MET
SCHEMBL4580984 0.84 CA12 (0.72) CA12CA7CA9CA14MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232255-A The preparation method and application of tyrosol phenolic acid ester type compound 通化师范学院 2019-01-18 CN claimed
CN-109232255-A The preparation method and application of tyrosol phenolic acid ester type compound 通化师范学院 2019-01-18 CN disclosed
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-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-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-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
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
US-20070183996-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) 2007-08-09 US disclosed
US-20070183996-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) 2007-08-09 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 (3 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 CA12 1730/4885CA7 154/4885CA9 403/4885
US-20070183996-A1 Para-coumaric acid or para-hydroxycinnamic acid derivatives and their use in cosmetic or dermatological compositions TYR, CUTA, HPD CA12 1735/4885CA7 154/4885CA9 399/4885
US-20130272983-A1 Para-Coumaric Acid or Para-Hydroxycinnamic Acid Derivatives and their Use in Cosmetic or Dermatological Compositions TYR, CUTA, HPD CA12 1735/4885CA7 154/4885CA9 399/4885

“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.