SCHEMBL14645865

SCHEMBL14645865

CCCCC(CC)COC(=O)c1cccc(C)c1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
CYP3A4 P08684 4/20 0.71
CA2 P00918 1/20 0.71
LMNA P02545 4/20 0.65
PRSS1 P07477 1/20 0.64
PRSS2 P07478 1/20 0.64
PRSS3 P35030 1/20 0.64
TSHR P16473 6/20 0.57
MAPK1 P28482 4/20 0.57
HSD17B10 Q99714 4/20 0.51
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL11274168 0.89 ALDH1A1 (0.73) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL8679751 0.87 ALDH1A1 (0.84) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29649126 0.87 ALDH1A1 (0.84) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL6008816 0.86 ALDH1A1 (0.73) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL5695912 0.86 ALDH1A1 (0.73) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL8397045 0.85 ALDH1A1 (0.97) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1444868 0.85 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl) Phthalate SCHEMBL29351619 0.84 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl)Phthalate SCHEMBL29411299 0.84 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1
Bis(2-Ethylhexyl)Phthalate SCHEMBL21733281 0.84 ALDH1A1 (1.00) ALDH1A1CYP3A4CA2LMNAPRSS1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415553-B Plasticized thermoset resins and related cured resins, curing methods, and articles comprising cured resins 马萨诸塞大学 2022-08-05 CN claimed
EP-3481899-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN The University of Massachusetts (US) 2019-05-15 EP claimed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN claimed
WO-2018008003-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN THE UNIVERSITY OF MASSACHUSETTS (US) 2018-01-11 WO claimed
EP-3481899-B1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN UNIV MASSACHUSETTS (US) 2022-12-21 EP disclosed
CN-109415553-B Plasticized thermoset resins and related cured resins, curing methods, and articles comprising cured resins 马萨诸塞大学 2022-08-05 CN disclosed
US-10913844-B2 Plasticized thermoset resin, and associated cured resin, method of curing, and article comprising cured resin THE UNIVERSITY OF MASSACHUSETTS (US) 2021-02-09 US disclosed
US-20190309159-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN THE UNIVERSITY OF MASSACHUSETTS 2019-10-10 US disclosed
EP-3481899-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN The University of Massachusetts (US) 2019-05-15 EP disclosed
CN-109415553-A The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin 马萨诸塞大学 2019-03-01 CN disclosed
WO-2018008003-A1 PLASTICIZED THERMOSET RESIN, AND ASSOCIATED CURED RESIN, METHOD OF CURING, AND ARTICLE COMPRISING CURED RESIN THE UNIVERSITY OF MASSACHUSETTS (US) 2018-01-11 WO disclosed
CN-107365263-A Process for preparing 2-amino-5-cyano-N, 3-dimethylbenzamide 拜耳知识产权有限责任公司 2017-11-21 CN disclosed
EP-2729444-B1 METHOD FOR MANUFACTURING 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-9169198-B2 Method for the production of 2-amino-5-cyano-N,3-dimethylbenzamide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
EP-2729444-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE Bayer Intellectual Property GmbH (DE) 2014-05-14 EP disclosed
WO-2013007603-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 WO 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-20140148611-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE ALKBH5, ALKBH2, MMAB ALDH1A1 1505/4885CYP3A4 438/4885CA2 257/4885

“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.