SCHEMBL12246765

SCHEMBL12246765

O=C(CCc1ccccc1)NCCc1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
HPGD P15428 1/20 0.55
PLAAT3 P53816 2/20 0.53
PLAAT5 Q96KN8 2/20 0.53
PLAAT2 Q9NWW9 2/20 0.53
PLAAT4 Q9UL19 2/20 0.53
STS P08842 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CA12 O43570 1/20 0.52

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
SCHEMBL14444149 0.94 STS (0.57) STSLMNAMEN1KMT2AALDH1A1
SCHEMBL2186352 0.82 HDAC2 (0.72) TAAR1HPGDPLAAT5PLAAT4HDAC3
SCHEMBL14432112 0.82 STS (0.47) STSLMNACA1CA2CA9
SCHEMBL28488969 0.81 KMT2A (0.48) STSKDM4ELMNACA12CA1
SCHEMBL3766090 0.80 PTPN1 (0.56) HPGDHDAC3HDAC4HDAC1HDAC2
SCHEMBL4151866 0.78 GAA (0.74) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4151976 0.78 GAA (0.74) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL13401878 0.78 CA1 (0.80) TAAR1CA12CA1CA2CA9
SCHEMBL19143369 0.78 FFAR1 (0.59) LMNACA1CA2
SCHEMBL7765076 0.77 L3MBTL1 (0.79) TAAR1HPGDPLAAT5PLAAT4HDAC3

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 TAAR1 4834/4885HPGD 18/4885PLAAT3 1308/4885
US-20130272983-A1 Para-Coumaric Acid or Para-Hydroxycinnamic Acid Derivatives and their Use in Cosmetic or Dermatological Compositions TYR, CUTA, HPD TAAR1 4832/4885HPGD 15/4885PLAAT3 1334/4885

“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.