SCHEMBL354853

SCHEMBL354853

COc1ccc(CN=C=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 1.00
TRPA1 O75762 2/20 0.57
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 1/20 0.55
MPI P34949 1/20 0.47
IDO1 P14902 3/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AGXT P21549 2/20 0.44
LTA4H P09960 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1815294 0.83 MIF (0.71) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141861 0.82 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL4701206 0.81 MIF (0.68) MIFTRPA1IDO1TAAR1
SCHEMBL5372 0.80 MIF (0.67) MIFALDH1A1CYP3A4MPIIDO1
SCHEMBL23342229 0.78 MIF (0.65) MIFALDH1A1CYP3A4MPIIDO1
3-Methoxybenxyl Isothiocyanate SCHEMBL1551644 0.78 MIF (0.64) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10566112 0.78 MIF (0.64) MIFTRPA1ALDH1A1TAAR1ALOX15
SCHEMBL4779914 0.77 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1706732 0.77 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL9610849 0.77 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD

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 431 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
WO-2019063069-A1 AMIDES FOR GENERATING A TRIGEMINAL EFFECT SYMRISE AG (DE) 2019-04-04 WO claimed
EP-2742983-B1 Method for isolating fragrance and flavour compounds SYMRISE AG (DE) 2017-08-23 EP claimed
EP-3142499-A1 HOMOVANILLIC ESTER, MORE PARTICULARLY FOR ACHIEVING AN IMPRESSION OF HEAT AND/OR SPICINESS Symrise AG (DE) 2017-03-22 EP claimed
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
US-20160198747-A1 1H-PYRROLE-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2016-07-14 US claimed
WO-2015014607-A1 IMIDAZO[1,2-A]PYRIDINE-YLMETHYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO claimed
WO-2015014609-A1 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO claimed
EP-2832234-A1 Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents IMAX Discovery GmbH (DE) 2015-02-04 EP claimed
EP-2832233-A1 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents IMAX Discovery GmbH (DE) 2015-02-04 EP claimed
CN-104117064-A Combined application of isothiocyanate compound and hormone medicine WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2014-10-29 CN claimed
EP-2742983-A1 Method for isolating fragrance and flavour compounds Symrise AG (DE) 2014-06-18 EP claimed
WO-2013135511-A1 N-(2,4-DIMETHYLPENTAN-3-YL)-METHYLBENZAMIDES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2013-09-19 WO claimed
EP-2008530-B1 Aroma composition for reducing or suppressing unwanted bitter and astringent impressions SYMRISE AG (DE) 2011-01-19 EP claimed
EP-2008530-A1 Aroma composition for reducing or suppressing unwanted bitter and astringent impressions Symrise GmbH & Co. KG (DE) 2008-12-31 EP claimed
US-20080317923-A1 AROMA COMPOSITION FOR REDUCING OR SUPPRESSING AN UNDESIRED BITTER, ASTRINGENT IMPRESSION SYMRISE GMBH & CO. KG (DE) 2008-12-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 MIF 986/4885TRPA1 2138/4885ALDH1A1 2081/4885

“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.