SCHEMBL152177

SCHEMBL152177

Cc1c(CN=C=O)cccc1N=C=O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.66
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL6419136 0.85 CYP3A4 (0.70) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL23522251 0.85 CYP3A4 (0.70) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL3459587 0.85 GABRA1 (0.47) CYP3A4GABRA1GABRB2PDCD1CD274
SCHEMBL27348553 0.83 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL29377741 0.83 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL1128051 0.83 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL8189654 0.81 CYP3A4 (0.77) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL10963657 0.81 GABRA1 (0.51) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL10652352 0.81 CYP3A4 (0.63) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL15092 0.80 CYP3A4 (1.00) CYP3A4GABRA1GABRB2TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538611-B1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF SE (DE) 2023-08-02 EP claimed
US-11530292-B2 Polyurethane comprising graphene nano structure BASF SE 2022-12-20 US claimed
US-11525095-B2 Process for molecular separation of hydrocarbons using nanopore membranes INDIAN OIL CORPORATION LIMITED (IN) 2022-12-13 US claimed
CN-109963910-B Polyurethane comprising graphene nanostructures 巴斯夫欧洲公司 2022-08-19 CN claimed
US-20220089959-A1 Process For Molecular Separation Of Hydrocarbons Using Nanopore Membranes INDIAN OIL CORPORATION LIMITED (IN) 2022-03-24 US claimed
US-20190315909-A1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF CORPORATION 2019-10-17 US claimed
EP-3538611-A1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF SE (DE) 2019-09-18 EP claimed
WO-2018089638-A1 POLYURETHANE COMPRISING GRAPHENE NANO STRUCTURE BASF SE (DE) 2018-05-17 WO claimed
US-8653157-B2 Polyurethane compound and shoe soles made therefrom BAYER MATERIALSCIENCE LLC (US) 2014-02-18 US claimed
US-20080269371-A1 POLYURETHANE COMPOUND AND SHOE SOLES MADE THEREFROM BAYONE URETHANE SYSTEMS LLC (US) 2008-10-30 US claimed
EP-0091054-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1985-10-02 EP claimed
EP-0091054-A1 1-Alkyl-2-isocyanatomethyl-isocyanato phenyl and/or 1-alkyl-4-isocyanatomethyl-isocyanato phenyl, method for their preparation and use BASF Aktiengesellschaft (DE) 1983-10-12 EP claimed
US-6432543-B1 None US disclosed
US-12624126-B2 Dextran-alpha-glucan graft copolymers and derivatives thereof Nutrition & Biosciences USA 4, Inc. (US) 2026-05-12 US disclosed
US-12496613-B2 Coating compositions and related methods AXALTA COATING SYSTEMS IP CO., LLC (US) 2025-12-16 US disclosed
US-12486411-B2 Method of applying a one-component waterborne coating composition to a substrate utilizing a high transfer efficiency applicator AXALTA COATING SYSTEMS IP CO., LLC (US) 2025-12-02 US disclosed
US-4031035-A Polyurethane-amide resins based upon isocyanate terminated prepolymers of bis-(2-hydroxyethyl)terephthalate CELANESE CORPORATION (US) 1977-06-21 US disclosed
US-3969394-A Polyurethanes CELANESE CORPORATION (US) 1976-07-13 US disclosed
US-3957843-A FOAM STABILIZERS FOR POLYURETHANES UNION CARBIDE CORPORATION (US) 1976-05-18 US disclosed
US-3933695-A Hydroxyalkenylsiloxane rigid poly urethane foam stabilizers UNION CARBIDE CORPORATION (US) 1976-01-20 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 (1 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-12624126-B2 Dextran-alpha-glucan graft copolymers and derivatives thereof ALG8, DDOST, ALG1 CYP3A4 2890/4885GABRA1 3032/4885GABRB2 3111/4885

“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.