SCHEMBL6804290

SCHEMBL6804290

O=C=NCCc1cccc(CCN=C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.50
TRPA1 O75762 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2A6 P11509 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2A13 Q16696 1/20 0.45
EPAS1 Q99814 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TAAR1 Q96RJ0 3/20 0.36
C3AR1 Q16581 1/20 0.35
CYP2D6 P10635 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL14015247 0.92 MIF (0.45) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL29542006 0.88 HTR3E (0.54) MIFMEN1KMT2AHTR3EHTR3B
SCHEMBL1851734 0.88 HTR3E (0.54) MIFMEN1KMT2AHTR3EHTR3B
SCHEMBL9752705 0.88 MIF (0.48) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL13139339 0.87 TAAR1 (0.52) MIFTAAR1
SCHEMBL28899166 0.87 TAAR1 (0.52) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL30829275 0.87 TAAR1 (0.52) MIFTAAR1
SCHEMBL29077870 0.86 MIF (0.37) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL6808470 0.86 MIF (0.50) MIFMEN1KMT2AHTR3EHTR3B
SCHEMBL9178534 0.85 MIF (0.42) MIFTRPA1CYP2E1CYP2A6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606692-B2 Spectacle lens HOYA LENS THAILAND LTD. (TH) 2026-04-21 US disclosed
EP-3778170-B1 METHOD FOR MANUFACTURING OPTICAL MEMBER HOYA LENS THAILAND LTD (TH) 2026-01-28 EP disclosed
US-12503427-B2 Diamine composition, and method of preparing diisocyanate composition SK pucore co., ltd (KR) 2025-12-23 US disclosed
EP-3689932-B1 METHOD FOR MANUFACTURING OPTICAL MEMBER RESIN, OPTICAL MEMBER RESIN, SPECTACLE LENS, AND SPECTACLES HOYA LENS THAILAND LTD (TH) 2025-07-30 EP disclosed
US-20250188024-A1 METHOD OF PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLATE, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL MATERIAL, AND SPECTACLE LENS HOYA LENS THAILAND LTD. (TH) 2025-06-12 US disclosed
US-20250179014-A1 METHOD OF PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLATE, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL MATERIAL, AND SPECTACLE LENS HOYA LENS THAILAND LTD. (TH) 2025-06-05 US disclosed
US-20250101202-A1 ISOCYANATE COMPOSITION AND OPTICAL COMPOSITION Hanwha Solutions Corporation (KR) 2025-03-27 US disclosed
EP-4506336-A1 METHOD FOR PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLIC ESTER, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL MATERIAL, AND SPECTACLE LENS HOYA LENS THAILAND LTD. (TH) 2025-02-12 EP disclosed
EP-4506335-A1 METHOD FOR PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLIC ESTER, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL MATERIAL, AND SPECTACLE LENS HOYA LENS THAILAND LTD. (TH) 2025-02-12 EP disclosed
EP-3778687-B1 METHOD FOR PRODUCING POLYMERIZABLE COMPOSITION HOYA LENS THAILAND LTD (TH) 2024-11-20 EP disclosed
EP-2660260-A1 COMPOSITION FOR OPTICAL MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-11-06 EP disclosed
US-20130267673-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-10-10 US disclosed
WO-2012121997-A1 POLYTHIOURETHAN BASED COMPOSITE ARTICLES PPG INDUSTRIES OHIO, INC. (US) 2012-09-13 WO disclosed
US-20120224139-A1 COMPOSITE OPTICAL ARTICLES PPG INDUSTRIES OHIO, INC. (US) 2012-09-06 US disclosed
US-6733887-B2 Photochromic coated high impact resistant articles PPG INDUSTRIES OHIO, INC. 2004-05-11 US disclosed
US-6531076-B2 Poly(urea-urethane) copolymers; impact strength PPG INDUSTRIES OHIO, INC. 2003-03-11 US disclosed
US-20030044620-A1 Non-elastomeric poly(urea-urethane) substrate having free isocyanato surface groups and at least a partial coating of a photochromic polymeric coating; lenses PPG INDUSTRIES OHIO, INC. 2003-03-06 US disclosed
US-20010050356-A1 Photochromic organic resin composition TRANSITIONS OPTICAL LIMITED (IE) 2001-12-13 US disclosed
EP-0207569-B1 PROCESS FOR COATING AN ELECTRICALLY CONDUCTIVE SUBSTRATE AND AN AQUEOUS COATING COMPOSITION BASED ON A CATIONIC BINDER AKZO N.V. (NL) 1988-11-17 EP disclosed
EP-0104683-B1 PROCESS FOR COATING AN ELECTRICALLY CONDUCTIVE SUBSTRATE AND AN AQUEOUS COMPOSITION CONTAINING A CATIONIC BINDER AKZO N.V. (NL) 1986-09-10 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 (2 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-12503427-B2 Diamine composition, and method of preparing diisocyanate composition INCENP, ALKBH5, TET1 MIF 3016/4885TRPA1 706/4885CYP2E1 3736/4885
US-12606692-B2 Spectacle lens POT1, TCOF1, CRY1 MIF 1569/4885TRPA1 871/4885CYP2E1 4746/4885

“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.