SCHEMBL396164

SCHEMBL396164

CCc1ccc(N)c(CC)c1CC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
HTT P42858 1/20 0.34
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CTRC Q99895 1/20 0.31
THRB P10828 1/20 0.31
NOS1 P29475 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DHFR P00374 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
SCHEMBL29043862 0.98 POLB (0.40) POLBALDH1A1MAPTNOS3NOS2
Iodide SCHEMBL5092606 0.98 POLB (0.40) POLBALDH1A1MAPTNOS3NOS2
Bromide SCHEMBL16928609 0.98 POLB (0.40) POLBALDH1A1MAPTNOS3NOS2
Bromide SCHEMBL5088452 0.98 POLB (0.40) POLBALDH1A1MAPTNOS3NOS2
Hydrochloric Acid SCHEMBL233673 0.98 POLB (0.40) POLBALDH1A1MAPTNOS3NOS2
Water SCHEMBL188047 0.98 POLB (0.44) POLBALDH1A1MAPTNOS3NOS2
Hydrochloric Acid SCHEMBL5510042 0.98 POLB (0.40) POLBALDH1A1MAPTNOS3NOS2
Ethylene SCHEMBL28200619 0.95 POLB (0.39) POLBALDH1A1MAPTNOS3NOS2
Bicarbonate SCHEMBL21957733 0.91 ALDH1A1 (0.37) POLBALDH1A1MAPTHTTGABRA1
Oxalic Acid SCHEMBL21957810 0.89 ALDH1A1 (0.36) POLBALDH1A1MAPTHTTGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119899205-A Preparation method and application of single-site metal catalyst auxiliary agent 中国石油化工股份有限公司 2025-04-29 CN claimed
CN-115960325-B Ultrathin chiral fluorescent covalent organic framework nano-sheet and preparation method and application thereof 中国科学院福建物质结构研究所 2024-11-12 CN claimed
EP-4313864-A1 SYNTHESIS OF ZEOLITIC MATERIALS HAVING AFT FRAMEWORK STRUCTURE AND SCR CATALYSTS COMPRISING THE SAME BASF Corporation (US) 2024-02-07 EP claimed
CN-117062777-A Synthesis of zeolite material having AFT framework structure and SCR catalyst comprising the same 巴斯夫公司 2023-11-14 CN claimed
CN-116323694-A Bis (heterocyclic-alkoxide) lewis base catalysts and methods thereof 埃克森美孚化学专利公司 2023-06-23 CN claimed
CN-115960325-A Ultrathin chiral fluorescent covalent organic framework nanosheet and preparation method and application thereof 中国科学院福建物质结构研究所 2023-04-14 CN claimed
CN-115362187-A Polyethylene compositions obtained using transition metal bis (phenolate) catalyst complexes and homogeneous processes for producing the same 埃克森美孚化学专利公司 2022-11-18 CN claimed
CN-114929761-A With C 1 Isotactic propylene homopolymers and copolymers produced by symmetric metallocene catalysts 埃克森美孚化学专利公司 2022-08-19 CN claimed
CN-113813982-A Integral N-modified TS-1 catalyst carrier and preparation method thereof 华东理工大学 2021-12-21 CN claimed
CN-113423744-A Lewis base catalyst and process therefor 埃克森美孚化学专利公司 2021-09-21 CN claimed
CN-110844917-A Preparation method of magnesium boride nanoparticles 成都理工大学 2020-02-28 CN claimed
US-20160237066-A1 IMPROVED PROCESS FOR THE PREPARATION OF ((3S,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL-4-METHYLBENZENESULFONATE MSN LABORATORIES PRIVATE LIMITED (IN) 2016-08-18 US claimed
CN-103571549-B A kind of gasoline cleaning agent, preparation method and its usage BIYADI CO., LTD. (CN) 2016-03-30 CN claimed
CN-103571549-A Gasoline detergent, preparation method and applications thereof BYD CO LTD 2014-02-12 CN claimed
US-6103908-A HYDROFORMYLATION CATALYSTS; SIMPLIFICATION, EFFICIENCY CELANESE GMBH (DE) 2000-08-15 US claimed
US-5466648-A Tungsten salt, aromatic amine QUANTUM CHEMICAL CORPORATION (US) 1995-11-14 US claimed
US-4537843-A ELECTRODES OF POLYMER WITH CONJUGATED DOUBLE BONDS IN MAIN CHAIN, SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-08-27 US claimed
EP-0141371-A1 Secondary Battery SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-05-15 EP claimed
US-6384179-B1 None US disclosed
US-3932477-A COORDINATION CATALYSTS, OXYGEN SCAVENGERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-13 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-20160237066-A1 IMPROVED PROCESS FOR THE PREPARATION OF ((3S,5R)-5-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHYL-4-METHYLBENZENESULFONATE CYP4B1, CYP1B1, CYP51A1 POLB 1569/4885ALDH1A1 734/4885MAPT 4357/4885

“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.