SCHEMBL298386

SCHEMBL298386

CCC(C(=O)O)c1ccc(O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
BLM P54132 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
AKR1C3 P42330 3/20 0.61
AKR1C2 P52895 3/20 0.61
AKR1C1 Q04828 1/20 0.61
PTGS1 P23219 1/20 0.61
BCHE P06276 2/20 0.56
TYR P14679 2/20 0.56
ACHE P22303 2/20 0.56
GAA P10253 2/20 0.56
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
PMP22 Q01453 1/20 0.53
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FOLH1 Q04609 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
Alcohol SCHEMBL17179872 0.97 TSHR (0.63) TSHRBLMNPSR1AKR1C3AKR1C2
Phenol SCHEMBL16868807 0.93 TSHR (0.58) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL9250603 0.89 BLM (0.61) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL3182348 0.89 TSHR (0.65) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL20945422 0.88 TSHR (0.60) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL28063138 0.88 TSHR (0.63) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL17179839 0.87 TSHR (0.58) TSHRBLMNPSR1AKR1C3AKR1C2
Alcohol SCHEMBL17179846 0.87 TSHR (0.58) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL17179859 0.87 TSHR (0.58) TSHRBLMNPSR1AKR1C3AKR1C2
SCHEMBL3828059 0.87 AKR1C3 (0.65) TSHRBLMNPSR1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3969163-B1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES SYMRISE AG (DE) 2024-12-11 EP claimed
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 EP claimed
WO-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 WO claimed
EP-3687311-A1 AMIDES FOR GENERATING A TRIGEMINAL EFFECT Symrise AG (DE) 2020-08-05 EP 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-20190127314-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE SYMRISE AG (DE) 2019-05-02 US claimed
WO-2019063069-A1 AMIDES FOR GENERATING A TRIGEMINAL EFFECT SYMRISE AG (DE) 2019-04-04 WO 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
WO-2017162284-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE SYMRISE AG (DE) 2017-09-28 WO claimed
EP-2932858-A1 Homovanillic acid esters, in particular for achieving an impression of heat and/or spiciness Symrise AG (DE) 2015-10-21 EP claimed
US-12630495-B2 Method for producing esters of homovanillic acid SYMRISE AG (DE) 2026-05-19 US disclosed
EP-4192614-B1 PROCESS FOR THE PREPARATION OF MICROCAPSULES SYMRISE AG (DE) 2026-05-06 EP disclosed
EP-4143151-B1 METHOD FOR PRODUCING ESTERS OF HOMOVANILLIC ACID SYMRISE AG (DE) 2025-12-10 EP disclosed
EP-3969163-B1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES SYMRISE AG (DE) 2024-12-11 EP disclosed
EP-4472763-A1 METHOD FOR PRODUCING MICROCAPSULES Symrise AG (DE) 2024-12-11 EP disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
EP-2137178-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2009-12-30 EP disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
US-5158948-A Treating neurological and psychological disorders ABBOTT LABORATORIES (US) 1992-10-27 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 (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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 TSHR 1657/4885BLM 4485/4885NPSR1 41/4885
US-20190127314-A1 HOMOVANILLIC ACID ESTER FOR REDUCING OR INHIBITING FATTY ACID ABSORPTION IN THE SMALL INTESTINE FABP2, SLC10A2, VIP TSHR 3453/4885BLM 4872/4885NPSR1 1167/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 TSHR 1257/4885BLM 4123/4885NPSR1 698/4885
US-12630495-B2 Method for producing esters of homovanillic acid ADH1C, ADH1A, SLC6A6 TSHR 611/4885BLM 3594/4885NPSR1 1143/4885

“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.