SCHEMBL331439

SCHEMBL331439

S=C=NCC1CCC(CN=C=S)S1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL332128 0.79
SCHEMBL330874 0.74 TRPA1 (0.31) TRPA1
SCHEMBL29037435 0.72
SCHEMBL569528 0.69
SCHEMBL2143495 0.69 APLNR (0.36) APLNRTRPA1
SCHEMBL28195662 0.66
SCHEMBL6538414 0.65
SCHEMBL11053867 0.65
SCHEMBL2137343 0.65 KEAP1 (0.34) APLNRTRPA1
(Isothiocyanatomethyl)Cyclohexane SCHEMBL1448756 0.63 KEAP1 (0.42) APLNRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens MITSUI CHEMICALS, INC. (JP) 2026-05-19 US disclosed
EP-3861977-B1 (METH)ACRYLATE, MONOMER COMPOSITION, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2026-05-06 EP disclosed
EP-4733341-A1 POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING SAME, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2026-04-29 EP disclosed
US-12605306-B2 Method of manufacturing monomer composition, raw material composition, monomer composition, curable composition, and molded body MITSUI CHEMICALS, INC. (JP) 2026-04-21 US disclosed
US-12583964-B2 Polythiol composition, polymerizable composition, resin, molded article, optical material, and lens MITSUI CHEMICALS, INC. (JP) 2026-03-24 US disclosed
EP-4198617-B1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL MATERIAL, AND LENS MITSUI CHEMICALS INC (JP) 2026-01-28 EP disclosed
US-12441821-B2 (Meth)acrylate and use thereof MITSUI CHEMICALS, INC. (JP) 2025-10-14 US disclosed
EP-4603479-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP disclosed
EP-4603524-A1 POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2025-08-20 EP disclosed
US-12384870-B2 Method for setting polymerization condition and method for manufacturing optical material MITSUI CHEMICALS, INC. (JP) 2025-08-12 US disclosed
US-20100029890-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
US-20100016517-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS, INC (JP) 2010-01-21 US disclosed
EP-2116558-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2009-11-11 EP disclosed
US-20090201584-A1 PLASTIC POLARIZED LENS AND METHOD OF PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2009-08-13 US disclosed
EP-2065414-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE RESIN Mitsui Chemicals, Inc. (JP) 2009-06-03 EP disclosed
EP-2051129-A1 PLASTIC POLARIZING LENS AND METHOD FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2009-04-22 EP disclosed
US-7506977-B1 Plastic spectacles lens HOPNIC LABORATORY CO., LTD. (JP) 2009-03-24 US disclosed
EP-1988110-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
EP-1988109-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
US-20080036964-A1 Plastic polarized lens and method of producing the same MITSUI CHEMICALS, INC. (JP) 2008-02-14 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 (5 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-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens TXNL1, ALG3, TCOF1 APLNR 3091/4885TRPA1 1621/4885
US-20100029890-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN OXGR1, HRH3, HRH4 APLNR 987/4885TRPA1 264/4885
US-12605306-B2 Method of manufacturing monomer composition, raw material composition, monomer composition, curable composition, and molded body ADH1A, ADH1C, ADH5 APLNR 4458/4885TRPA1 924/4885
US-12441821-B2 (Meth)acrylate and use thereof TST, MMAB, BHMT2 APLNR 4049/4885TRPA1 1453/4885
US-12583964-B2 Polythiol composition, polymerizable composition, resin, molded article, optical material, and lens EPN1, SEM1, PFN1 APLNR 2175/4885TRPA1 1281/4885

“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.