SCHEMBL31597

SCHEMBL31597

Cc1ccc(C)c(N=C=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.68
TRPA1 O75762 1/20 0.68
GAA P10253 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
DHODH Q02127 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
ADRA2A P08913 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
SCHEMBL30519851 0.84 CYP3A4 (0.50) CYP3A4TRPA1GAATDP1ALDH1A1
SCHEMBL645833 0.84 CYP3A4 (0.50) CYP3A4TRPA1GAATDP1ALDH1A1
SCHEMBL31115173 0.83 CYP3A4 (0.52) CYP3A4TRPA1GAATDP1ALDH1A1
SCHEMBL627870 0.83 CYP3A4 (0.52) CYP3A4TRPA1GAATDP1ALDH1A1
SCHEMBL31115174 0.83 CYP3A4 (0.52) CYP3A4TRPA1GAATDP1ALDH1A1
SCHEMBL2489721 0.83 CYP3A4 (0.48) CYP3A4TRPA1GAATDP1ALDH1A1
SCHEMBL10869858 0.83 CYP3A4 (0.68) CYP3A4TRPA1TDP1ALDH1A1HPGD
Toluene Diisocyanate SCHEMBL29350148 0.81 CYP3A4 (1.00) CYP3A4TRPA1TDP1ALDH1A1HPGD
Toluene Diisocyanate SCHEMBL15384 0.81 CYP3A4 (1.00) CYP3A4TRPA1TDP1ALDH1A1HPGD
Toluene Diisocyanate SCHEMBL29737260 0.81 CYP3A4 (1.00) CYP3A4TRPA1TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509547-B2 Synthesis of linear polyoxazolidinones using uretdiones as diisocyanate component BASF SE (DE) 2025-12-30 US claimed
EP-3529319-B1 RHEOLOGY-MODIFYING URETHANE COMPOUND COATEX SAS (FR) 2025-07-30 EP claimed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
US-20230348657-A1 SYNTHESIS OF LINEAR POLYOXAZOLIDINONES USING URETDIONES AS DIISOCYANATE COMPONENT BASF SE (DE) 2023-11-02 US claimed
EP-4185626-A1 SYNTHESIS OF LINEAR POLYOXAZOLIDINONES USING URETDIONES AS DIISOCYANATE COMPONENT BASF SE (DE) 2023-05-31 EP claimed
CN-116137864-A Synthesis of linear polyoxazolidinones using uretdiones as diisocyanate component 巴斯夫欧洲公司 2023-05-19 CN claimed
EP-3728376-A1 SOFTENING COMPOSITION Coatex (FR) 2020-10-28 EP claimed
CN-111433245-A Softening composition 可泰克斯公司 2020-07-17 CN claimed
EP-3529319-A1 RHEOLOGY-MODIFYING URETHANE COMPOUND Coatex (FR) 2019-08-28 EP claimed
CN-109844041-A Rheology modifying urethane compounds 可泰克斯公司 2019-06-04 CN claimed
CN-107176925-A A kind of synthetic method of the cyclohexadione compounds of polysubstituted imidazoline 2,4 湖北科技学院 2017-09-19 CN claimed
CN-103724293-B A kind of preparation method of the urea derivative containing 1,2,3-thiadiazoles 浙江工业大学 2016-08-17 CN claimed
CN-103613595-B A kind of preparation method of amide urea type compound JIANG University OF TECHNOLOGY (CN) 2016-04-13 CN claimed
CN-103613593-B A kind of preparation method of amide urea derivative JIANG University OF TECHNOLOGY (CN) 2015-10-28 CN claimed
CN-103613564-B Preparation method of amido urea derivative containing 1, 2, 3-thiadiazole UNIV ZHEJIANG TECHNOLOGY 2015-05-06 CN claimed
CN-103724293-A Preparation method of 1,2,3-thiadiazole-containing urea derivative UNIV ZHEJIANG TECHNOLOGY 2014-04-16 CN claimed
CN-103613595-A Preparation method of amide urea type compound UNIV ZHEJIANG TECHNOLOGY 2014-03-05 CN claimed
CN-103613564-A Preparation method of amido urea derivative containing 1, 2, 3-thiadiazole UNIV ZHEJIANG TECHNOLOGY 2014-03-05 CN claimed
CN-103613593-A Preparation method of amide urea derivative UNIV ZHEJIANG TECHNOLOGY 2014-03-05 CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed

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-12509547-B2 Synthesis of linear polyoxazolidinones using uretdiones as diisocyanate component BMP1, BMP4, PBRM1 CYP3A4 1801/4885TRPA1 4078/4885GAA 4610/4885

“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.