SCHEMBL2602745

SCHEMBL2602745

CC(=O)Oc1ccc(/C=C/C(=O)OCCc2ccccc2)cc1OC(C)=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.74
ALOX5 P09917 9/20 0.72
AKR1B10 O60218 4/20 0.65
AKR1B1 P15121 4/20 0.65
CYP3A4 P08684 2/20 0.65
ALOX15 P16050 2/20 0.65
ALOX12 P18054 2/20 0.65
MAPK1 P28482 2/20 0.65
HSD17B10 Q99714 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
GMNN O75496 1/20 0.65
ALDH1A1 P00352 1/20 0.65
EGFR P00533 1/20 0.65
LMNA P02545 1/20 0.65
ESR1 P03372 1/20 0.65
ERBB2 P04626 1/20 0.65
APP P05067 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65

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
SCHEMBL15378926 1.00 TTR (0.74) TTRALOX5AKR1B10AKR1B1CYP3A4
SCHEMBL15384911 0.93 ALOX5 (0.66) TTRALOX5AKR1B10AKR1B1CYP3A4
SCHEMBL15384916 0.91 TTR (0.71) TTRALOX5AKR1B10AKR1B1CYP3A4
SCHEMBL8034404 0.90 ALOX5 (0.79) TTRALOX5KDM4EALDH1A1MAPT
SCHEMBL15384910 0.88 CA12 (0.67) TTRALOX5AKR1B10AKR1B1KDM4E
SCHEMBL14113938 0.85 TTR (1.00) TTRALOX5AKR1B10AKR1B1CYP3A4
SCHEMBL15384086 0.85 TTR (0.67) TTRALOX5AKR1B10AKR1B1CYP3A4
SCHEMBL15884145 0.84 ALOX5 (1.00) TTRALOX5AKR1B10AKR1B1KDM4E
SCHEMBL24617861 0.83 ALOX5 (0.74) ALOX5KDM4EALDH1A1APPMAPT
SCHEMBL28181780 0.83 ALOX5 (0.72) TTRALOX5KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629766-B1 COMBINATION THERAPY Chemigen (US) 2017-02-22 EP disclosed
US-9532967-B2 Use of phenethyl caffeate derivatives in the preparation of a medicament against tumor angiogenesis LIU JUNYI (CN) 2017-01-03 US disclosed
US-9040579-B2 Combination therapy using coenzyme Q10 and a caffeic acid-derived ester Chemigen (US) 2015-05-26 US disclosed
US-9040579-B2 Combination therapy using coenzyme Q10 and a caffeic acid-derived ester Chemigen (US) 2015-05-26 US disclosed
US-8993621-B2 Caffeic acid derivatives and their use in improving neuronal cell viability CHEMIGEN, INC. (US) 2015-03-31 US disclosed
US-8993621-B2 Caffeic acid derivatives and their use in improving neuronal cell viability CHEMIGEN, INC. (US) 2015-03-31 US disclosed
US-20130303611-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS LIU JUNYI (CN) 2013-11-14 US disclosed
US-20130303611-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS LIU JUNYI (CN) 2013-11-14 US disclosed
US-20120129931-A1 CAFFEIC ACID DERIVATIVES AND THEIR USE IN IMPROVING NEURONAL CELL VIABILITY Chemigen (US) 2012-05-24 US disclosed
WO-2012068038-A2 CAFFEIC ACID DERIVATIVES AND THEIR USE IN IMPROVING NEURONAL CELL VIABILITY Chemigen (US) 2012-05-24 WO disclosed
US-20120129931-A1 CAFFEIC ACID DERIVATIVES AND THEIR USE IN IMPROVING NEURONAL CELL VIABILITY Chemigen (US) 2012-05-24 US disclosed
US-20120100122-A1 COMBINATION THERAPY Chemigen (US) 2012-04-26 US disclosed
US-20120100122-A1 COMBINATION THERAPY Chemigen (US) 2012-04-26 US disclosed
WO-2012054446-A2 COMBINATION THERAPY Chemigen (US) 2012-04-26 WO 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-20130303611-A1 USE OF PHENETHYL CAFFEATE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT AGAINST TUMOR ANGIOGENESIS NR4A3, CBR3, NCOA3 TTR 4119/4885ALOX5 560/4885AKR1B10 1990/4885
US-20120129931-A1 CAFFEIC ACID DERIVATIVES AND THEIR USE IN IMPROVING NEURONAL CELL VIABILITY CCAR2, BDNF, CASP3 TTR 4828/4885ALOX5 1341/4885AKR1B10 4586/4885
US-20120100122-A1 COMBINATION THERAPY SLC25A20, TFAM, NDUFAB1 TTR 341/4885ALOX5 1085/4885AKR1B10 1036/4885

“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.