SCHEMBL17189129

SCHEMBL17189129

COc1cc(CC(=O)OCCc2ccccc2)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.76
GAA P10253 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
TTR P02766 2/20 0.60
YWHAG P61981 1/20 0.59
APP P05067 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
MET P08581 3/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.52
CA12 O43570 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
HTR7 P34969 1/20 0.51
CA5A P35218 1/20 0.51

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
SCHEMBL30168268 1.00 ALOX5 (0.76) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL29483318 0.92 ALOX5 (0.65) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL17187545 0.92 ALOX5 (0.65) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL17187542 0.91 ALOX5 (0.64) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL30242287 0.91 ALOX5 (0.64) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL19839959 0.88 ALOX5 (0.60) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL490945 0.88 ALOX5 (0.77) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL29577821 0.88 ALOX5 (0.60) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL6081043 0.86 ALDH1A1 (0.64) ALOX5GAAALDH1A1TSHRNFKB1
SCHEMBL20914967 0.85 YWHAG (0.82) ALOX5GAAALDH1A1TSHRNFKB1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059747-A1 A COOLING PREPARATION SYMRISE AG (DE) 2023-02-23 US claimed
EP-3142499-B1 HOMOVANILLIC ACID ESTERS, IN PARTICULAR FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS SYMRISE AG (DE) 2019-10-30 EP claimed
US-20190276386-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS BACKES MICHAEL (DE) 2019-09-12 US claimed
US-20190127314-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE SYMRISE AG (DE) 2019-05-02 US claimed
EP-3432878-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE Symrise AG (DE) 2019-01-30 EP claimed
EP-4143151-B1 METHOD FOR PRODUCING ESTERS OF HOMOVANILLIC ACID SYMRISE AG (DE) 2025-12-10 EP disclosed
EP-4143151-A1 METHOD FOR PRODUCING ESTERS OF HOMOVANILLIC ACID Symrise AG (DE) 2023-03-08 EP disclosed
US-20230059747-A1 A COOLING PREPARATION SYMRISE AG (DE) 2023-02-23 US disclosed
US-20230059747-A1 A COOLING PREPARATION SYMRISE AG (DE) 2023-02-23 US disclosed
CN-115697961-A Preparation method of high-fragrance oxalate 西姆莱斯有限公司 2023-02-03 CN disclosed
US-11535584-B2 Homovanillinic acid ester, in particular for creating a warm and/or pungent sensation SYMRISE AG (DE) 2022-12-27 US disclosed
US-11535584-B2 Homovanillinic acid ester, in particular for creating a warm and/or pungent sensation SYMRISE AG (DE) 2022-12-27 US disclosed
US-20190276386-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS BACKES MICHAEL (DE) 2019-09-12 US disclosed
US-20190276386-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS BACKES MICHAEL (DE) 2019-09-12 US disclosed
US-20190127314-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE SYMRISE AG (DE) 2019-05-02 US disclosed
US-20190127314-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE SYMRISE AG (DE) 2019-05-02 US disclosed
EP-3432878-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE Symrise AG (DE) 2019-01-30 EP disclosed
WO-2017162284-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE SYMRISE AG (DE) 2017-09-28 WO disclosed
WO-2015158677-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS SYMRISE AG (DE) 2015-10-22 WO disclosed
EP-2932858-A1 Homovanillic acid esters, in particular for achieving an impression of heat and/or spiciness Symrise AG (DE) 2015-10-21 EP 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 (4 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-20230059747-A1 A COOLING PREPARATION GPX4, HTR3C, ADH1C ALOX5 106/4885GAA 1193/4885ALDH1A1 153/4885
US-20190127314-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE FABP2, SLC10A2, VIP ALOX5 29/4885GAA 1142/4885ALDH1A1 900/4885
US-11535584-B2 Homovanillinic acid ester, in particular for creating a warm and/or pungent sensation TAS2R46, TAS2R50, TAS1R1 ALOX5 397/4885GAA 1660/4885ALDH1A1 68/4885
US-20190276386-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS TAS2R4, HTR4, TAS2R20 ALOX5 1477/4885GAA 1971/4885ALDH1A1 674/4885

“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.