3-Methoxybenxyl Isothiocyanate

3-Methoxybenxyl Isothiocyanate

SCHEMBL1551644

COc1cccc(CN=C=S)c1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.64
TRPA1 O75762 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CMA1 P23946 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
AOC3 Q16853 1/20 0.45
MAOB P27338 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CTBP2 P56545 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL4672 0.83 TAAR1 (0.50) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL9490171 0.81 TAAR1 (0.60) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL483536 0.81 MIF (0.74) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10666513 0.80 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL13664654 0.79 MIF (0.60) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3004829 0.78 TAAR1 (0.56) ALDH1A1TAAR1IDO1AGXTCHRM2
SCHEMBL354853 0.78 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL19994035 0.77 MIF (0.48) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL30207605 0.77 MIF (0.48) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10651510 0.77 MIF (0.62) 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 70 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
CN-107840850-A One kind (±) macahydantoin revised B scale synthesis preparation method 云南民族大学 2018-03-27 CN claimed
US-20250228757-A1 SUNSCREEN COMPOUNDS AND FORMULATIONS OREGON STATE UNIVERSITY (US) 2025-07-17 US disclosed
WO-2025105873-A1 EASILY INSERTABLE AND REMOVABLE MENSTRUAL CUP FOR PREVENTING COLORING 주식회사 올담 2025-05-22 WO disclosed
US-20250066293-A1 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2025-02-27 US disclosed
WO-2023133494-A2 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2023-07-13 WO disclosed
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 US disclosed
CN-107840850-A One kind (±) macahydantoin revised B scale synthesis preparation method 云南民族大学 2018-03-27 CN disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 US disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 US disclosed
US-8784856-B2 Meadowfoam-based bioherbicide products The State of Oregon Acting by and Through the State Boad of Higher Education on Behalf of Oregon State University (US) 2014-07-22 US disclosed
US-20010056205-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION 2001-12-27 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
EP-1155677-A2 Methods and compositions for inhibiting free radical polymerization in skin and hair Fan Tech Ltd. (US) 2001-11-21 EP disclosed
WO-2001085681-A2 3-METHOXYBENZYL THIOUREA DERIVATIVES AND IMPROVED LIPID COMPOSITIONS CONTAINING SAME THE FANNING CORPORATION (US) 2001-11-15 WO disclosed
US-6194438-B1 ANTITUMOR AGENTS; ANTICANCER AGENTS; FARNESYL-PROTEIN TRANSFERASE INHIBITOR PFIZER INC. 2001-02-27 US disclosed
EP-1006113-A1 Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use to inhibit abnormal cell growth Pfizer Products Inc. (US) 2000-06-07 EP disclosed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 EP disclosed
US-4761415-A HYPOTENSIVE SMITHKLINE BECKMAN CORPORATION (US) 1988-08-02 US disclosed
EP-0261804-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-03-30 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-20250228757-A1 SUNSCREEN COMPOUNDS AND FORMULATIONS ACSS2, FADS1, FADS2 MIF 4441/4885TRPA1 455/4885ALDH1A1 189/4885
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 MIF 737/4885TRPA1 388/4885ALDH1A1 658/4885
US-20010056205-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 MIF 3173/4885TRPA1 2970/4885ALDH1A1 754/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 MIF 737/4885TRPA1 388/4885ALDH1A1 658/4885

“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.