SCHEMBL178387

SCHEMBL178387

CCCC1CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
TLR4 O00206 3/20 0.38
CYP2C9 P11712 1/20 0.37
NOS3 P29474 5/20 0.36
NOS1 P29475 5/20 0.36
NOS2 P35228 5/20 0.36
CYP1A2 P05177 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
FYN P06241 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 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
SCHEMBL2888263 0.95 TLR4 (0.40) ALDH1A1KMT2ATLR4CYP2C9NOS3
SCHEMBL2888265 0.95 TLR4 (0.40) ALDH1A1KMT2ATLR4CYP2C9NOS3
SCHEMBL9013274 0.91 CYP1A2 (0.42) ALDH1A1KMT2ATLR4CYP2C9CYP1A2
SCHEMBL2689965 0.91 NOS3 (0.40) ALDH1A1KMT2ATLR4CYP2C9NOS3
SCHEMBL9013281 0.91 CYP1A2 (0.42) ALDH1A1KMT2ATLR4CYP2C9CYP1A2
SCHEMBL1666553 0.87 TLR4 (0.51) ALDH1A1KMT2ATLR4CYP2C9NOS3
SCHEMBL1666552 0.87 TLR4 (0.51) ALDH1A1KMT2ATLR4CYP2C9NOS3
SCHEMBL8215701 0.87 TLR4 (0.51) ALDH1A1KMT2ATLR4CYP2C9NOS3
SCHEMBL7912286 0.86 TLR4 (0.44) ALDH1A1KMT2ATLR4CYP2C9CYP1A2
SCHEMBL7912304 0.86 TLR4 (0.44) ALDH1A1KMT2ATLR4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US claimed
US-20240392094-A1 Method for Screening Solvent for Polyvinyl Chloride Extraction, Recycling Method for Waste Material, and Recycled Polyvinyl Chloride and Composition LG CHEM, LTD. (KR) 2024-11-28 US claimed
CN-118026995-A Dihydrotriazole aromatization precursor and application thereof in deacylating and arylating reaction of ketone 国科大杭州高等研究院 2024-05-14 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117126178-A Bisphenol thiazide compound and synthesis method thereof 湘潭大学 2023-11-28 CN claimed
WO-2023033601-A1 METHOD FOR SCREENING SOLVENT FOR POLYVINYL CHLORIDE EXTRACTION, RECYCLING METHOD FOR WASTE MATERIAL, AND RECYCLED POLYVINYL CHLORIDE AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 WO claimed
CN-115197055-A Method for synthesizing 4-propylcyclohexanone by continuous flow microreactor 湖南华腾医药有限公司 2022-10-18 CN claimed
CN-109438318-B Synthesis method of 3-aryl indole and derivatives thereof 湖南医药学院 2022-05-03 CN claimed
CN-107417705-A Imidazo [2,1 b] benzothiazole compound and its synthetic method 湘潭大学 2017-12-01 CN claimed
WO-2015061804-A1 PRODUCTION OF RENEWABLE FINE CHEMICALS AND LIQUID FUELS PURDUE RESEARCH FOUNDATION (US) 2015-04-30 WO claimed
CN-102241576-B Method for preparing 2,2'-di(4-ketocyclohexyl) propane by catalytic oxidation NANTONG BAISHENG CHEMICAL CO LTD 2013-05-29 CN claimed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US claimed
CN-102241576-A Method for preparing 2,2'-di(4-ketocyclohexyl) propane by catalytic oxidation NANTONG BAISHENG CHEMICAL CO LTD 2011-11-16 CN claimed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP claimed
CN-101035771-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN claimed
EP-1776349-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP claimed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US claimed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO 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-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP ALDH1A1 2650/4885KMT2A 2035/4885TLR4 4827/4885

“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.