SCHEMBL41756

SCHEMBL41756

Oc1ccc(CN=C=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 1.00
MIF P14174 12/20 0.64
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ABAT P80404 1/20 0.41
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR3A P46098 1/20 0.38
BACE1 P56817 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL2141861 0.88 MIF (0.77) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL10651884 0.82 TRPA1 (0.69) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL8763362 0.81 MIF (0.68) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL2947970 0.78 MIF (1.00) TRPA1MIFALDH1A1ESR1ESR2
SCHEMBL1457562 0.77 MIF (1.00) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL1706732 0.77 MIF (0.63) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL4780073 0.77 MIF (0.63) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL5790355 0.77 MIF (0.63) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL895951 0.77 MIF (0.64) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL10906472 0.77 TRPA1 (0.63) TRPA1MIFALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228757-A1 SUNSCREEN COMPOUNDS AND FORMULATIONS OREGON STATE UNIVERSITY (US) 2025-07-17 US claimed
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
EP-3494104-B1 WARMING SENSATION COMPOUNDS TAKASAGO PERFUMERY CO LTD (JP) 2023-11-15 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
CN-109803948-B Warming sensation compound 高砂香料工业株式会社 2022-03-01 CN claimed
US-11059771-B2 Warming sensation compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-13 US claimed
US-11034644-B2 2021-06-15 US 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-2006002884-A1 ORAL DOSAGE FORM SAFEGUARDED AGAINST ABUSE Grünenthal GmbH (DE) 2006-01-12 WO claimed
EP-1558257-A1 DOSAGE FORM THAT IS SAFEGUARDED FROM ABUSE Grünenthal GmbH (DE) 2005-08-03 EP claimed
US-20050079255-A1 Isothiocyanate preservatives and methods of their use THE PROCTER & GAMBLE COMPANY 2005-04-14 US claimed
WO-2005032283-A1 ISOTHIOCYANATE PRESERVATIVES AND METHODS OF THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
WO-2005016314-A1 FORM OF ADMINISTRATION SECURED AGAINST MISUSE Grünenthal GmbH (DE) 2005-02-24 WO claimed
WO-2005016313-A1 DOSAGE FORM THAT IS SAFEGUARDED FROM ABUSE Grünenthal GmbH (DE) 2005-02-24 WO claimed
CN-1579222-A Fractionation of allyl isothiocyanate, p-hydroxybenzyl-isothiocyanate, protein and fiber from mustard SHIRO SAKAI (JP) 2005-02-16 CN claimed
US-20050031768-A1 Fractionation of allyl isothiocyanate, p-hydroxybenzyl-isothiocyanate, protein and fiber from mustard SAKAI, SHIRO (JP) 2005-02-10 US claimed
WO-2004037259-A1 DOSAGE FORM THAT IS SAFEGUARDED FROM ABUSE Grünenthal GmbH (DE) 2004-05-06 WO claimed
WO-2002087388-A1 CONTAINER FOR CLEANING IMPLEMENTS, IN ADDITION TO AN INSERTION BODY, TOOTHBRUSH AND RESERVOIR NEUFELD KLAUS (AT) 2002-11-07 WO 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 (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-20250228757-A1 SUNSCREEN COMPOUNDS AND FORMULATIONS ACSS2, FADS1, FADS2 TRPA1 455/4885MIF 4441/4885ALDH1A1 189/4885
US-11059771-B2 Warming sensation compounds TRPA1, TRPV1, TRPV4 TRPA1 1/4885MIF 4354/4885ALDH1A1 1286/4885
US-11034644-B2 TRPA1, TRPV1, TRPV5 TRPA1 1/4885MIF 4606/4885ALDH1A1 593/4885

“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.