SCHEMBL4887211

SCHEMBL4887211

Cc1cccc(N=C=O)c1CCCCCN=C=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
TRPA1 O75762 1/20 0.35
NAAA Q02083 4/20 0.33
MIF P14174 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL10415123 0.84 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL719741 0.83 CYP3A4 (0.69) CYP3A4KEAP1NFE2L2TRPA1NAAA
SCHEMBL7572989 0.81 CYP3A4 (0.55) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL9268593 0.80 CYP3A4 (0.65) CYP3A4KEAP1NFE2L2TRPA1NAAA
SCHEMBL28070263 0.78 CYP3A4 (0.46) CYP3A4KEAP1NFE2L2TRPA1NAAA
SCHEMBL28339723 0.77 NAAA (0.39) CYP3A4KEAP1NFE2L2NAAAMIF
SCHEMBL15005154 0.76 CYP3A4 (0.53) CYP3A4GABRA1GABRB2
SCHEMBL3814088 0.76 CYP3A4 (0.47) CYP3A4KEAP1NFE2L2TRPA1MIF
SCHEMBL4705523 0.76 CYP3A4 (0.57) CYP3A4TRPA1GABRA1GABRB2
SCHEMBL6377899 0.74 CYP3A4 (0.55) CYP3A4TRPA1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662423-A Preparation method of hydroxyl functionalized waterborne polyurethane 中国科学院山西煤炭化学研究所 2020-09-15 CN claimed
US-20080242548-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY, L.L.C. (US) 2008-10-02 US claimed
US-6992047-B2 Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY LLC (US) 2006-01-31 US claimed
US-20050208089-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY, L.L.C. (US) 2005-09-22 US claimed
EP-1377161-A1 MICROENCAPSULATING OF AN AGRICULTURAL ACTIVE HAVING A HIGH MELTING POINT Monsanto Technology LLC (US) 2004-01-07 EP claimed
US-20030022791-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY, L.L.C. 2003-01-30 US claimed
WO-2002082901-A1 MICROENCAPSULATING OF AN AGRICULTURAL ACTIVE HAVING A HIGH MELTING POINT MONSANTO TECHNOLOGY, LLC (US) 2002-10-24 WO claimed
US-20240101852-A1 INK SET, WATER-BASED MAINTENANCE FLUID, CLEANING METHOD, IMAGE FORMING SYSTEM, AND IMAGE FORMING METHOD BROTHER KOGYO KABUSHIKI KAISHA (JP) 2024-03-28 US disclosed
EP-4339249-A1 INK SET, WATER-BASED MAINTENANCE FLUID, CLEANING METHOD, IMAGE FORMING SYSTEM, AND IMAGE FORMING METHOD BROTHER KOGYO KABUSHIKI KAISHA (JP) 2024-03-20 EP disclosed
CN-110891621-B Vascular graft with modified surface 赢创加拿大公司 2022-07-08 CN disclosed
US-10472541-B2 Polyether-based reaction products and aqueous basecoat materials comprising said products BASF COATINGS GMBH (DE) 2019-11-12 US disclosed
US-10259153-B2 Photochemically cured millable polyurethane rubber TSE INDUSTRIES, INC. (US) 2019-04-16 US disclosed
US-9701778-B2 Aqueous dispersions of polyurethane resins based on rosin ARKEMA FRANCE (FR) 2017-07-11 US disclosed
US-20030022791-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY, L.L.C. 2003-01-30 US disclosed
WO-2002082901-A1 MICROENCAPSULATING OF AN AGRICULTURAL ACTIVE HAVING A HIGH MELTING POINT MONSANTO TECHNOLOGY, LLC (US) 2002-10-24 WO disclosed
US-5834555-A ELECTRODEPOSITABLE AND CURABLE ACRYLIC RESINS HAVING HYDROXYL, CARBOXYL AND/OR SULFO PENDANT GROUPS, AN ISOCYANATE CROSSLINKER AND A CARBODIIMIDE AND/OR EPOXIDE ADDITIVE; AUTOMOBILE WATERBASED PAINTS; WEATHERPROOFING; LEVELING BASF LACKE + FARBEN, AG (DE) 1998-11-10 US disclosed
US-5626917-A LACQUERS WITH POLYURETHANE GROUPS, ESTERS IN SOLVENTS HERBERTS GMBH (DE) 1997-05-06 US disclosed
US-5382616-A Polyisocyanate composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-01-17 US disclosed
EP-0459731-B1 Polyisocyanate composition ICI PLC (GB) 1994-12-21 EP disclosed
EP-0459731-A1 Polyisocyanate composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 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 (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-20050208089-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials LIPA, CEL, LIPE CYP3A4 1216/4885KEAP1 3754/4885NFE2L2 3978/4885
US-20030022791-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials LIPA, CEL, LIPE CYP3A4 1216/4885KEAP1 3754/4885NFE2L2 3978/4885
US-20080242548-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials LIPA, CEL, LIPE CYP3A4 1216/4885KEAP1 3754/4885NFE2L2 3978/4885

“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.