SCHEMBL4562956

SCHEMBL4562956

CCCCCN=C1NC(=NCCCCC)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 9/20 0.53
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR5A P47898 1/20 0.40
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
KCNA3 P22001 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4562954 1.00 C3AR1 (0.53) C3AR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4073991 0.76 L3MBTL1 (0.41) C3AR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4073995 0.76 L3MBTL1 (0.41) C3AR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9929719 0.73 KDM4E (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9929720 0.73 KDM4E (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7130694 0.72 CA1 (0.52) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7067150 0.72 CA1 (0.52) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7755455 0.70 CA12 (0.41) C3AR1ALDH1A1MEN1KMT2AHTR5A
Phthalimide SCHEMBL23213882 0.68 NAAA (0.53) GSK3B
SCHEMBL4108607 0.68 HTR5A (0.39) KDM4EMEN1KMT2AMAPTHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427759-B1 TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION EQUISTAR CHEM LP (US) 2009-12-23 EP claimed
US-6693154-B2 AN ORGANOMETALLIC COMPLEX CONTAINS A TRANSITION OR LANTHANIDE METAL AND 1,3-BIS(ARYLIMINO)ISOINDOLINE OR 1,3-BIS(HETEROARYLIMINO) ISOINDOLINE; ETHYLENE COPOLYMER WITH HIGH MOLECULAR WEIGHT, BROAD MOLECULAR WEIGHT DISTRIBUTION EQUISTAR CHEMICALS, LP 2004-02-17 US claimed
US-20030065113-A1 Transition metal catalysts for olefin polymerization EQUISTAR CHEMICALS, LP 2003-04-03 US claimed
EP-0676221-B1 Dried catalytic systems for decomposition of organic hydroperoxides SUN CO INC R & M (US) 1998-12-23 EP claimed
US-5723697-A Catalytic oxidation of light alkanes in presence of a base SUN COMPANY, INC. (R&M) (US) 1998-03-03 US claimed
US-5672778-A CATALYTIC OXIDATION OF ALKANES TO ALKYLHYDROPEROXIDE; DECOMPOSITION TO ALCOHOLS SUN COMPANY, INC. (R & M) (US) 1997-09-30 US claimed
EP-0781744-A2 Catalytic oxidation of light alkanes in presence of a base SUN COMPANY, INC. (R&M) (US) 1997-07-02 EP claimed
US-5550301-A REACTING DRIED PEROXIDE WITH METAL ORGANIC LIGAND CATALYST SUN COMPANY, INC. (R&M) (US) 1996-08-27 US claimed
EP-0676221-A1 Dried catalytic systems for decomposition of organic hydroperoxides SUN COMPANY, INC. (R&M) (US) 1995-10-11 EP claimed
EP-0296712-B1 Hydrocarbon oxidations catalyzed by iron coordination complexes containing a halogenated ligand SUN CO INC R & M (US) 1995-08-16 EP claimed
US-5395988-A Drying for decomposition with metal phthalocyanines SUN COMPANY, INC. (R&M) (US) 1995-03-07 US claimed
US-4895680-A OXIDATION CATALYSTS SUN REFINING AND MARKETING COMPANY (US) 1990-01-23 US claimed
JP-8048641-A None JP disclosed
EP-3515885-B1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO KG (DE) 2023-12-13 EP disclosed
US-10774035-B2 Preparation of amino acids and amino acid derivatives UMICORE AG & CO. KG (DE) 2020-09-15 US disclosed
US-20190276388-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES UMICORE AG & CO KG (DE) 2019-09-12 US disclosed
EP-0676221-A1 Dried catalytic systems for decomposition of organic hydroperoxides SUN COMPANY, INC. (R&M) (US) 1995-10-11 EP disclosed
EP-0522841-A2 Decomposition of organic hydroperoxides SUN COMPANY, INC. (R&M) (US) 1993-01-13 EP disclosed
US-5120886-A Contacting with substituted metal complex catalyst SUN REFINING AND MARKETING COMPANY (US) 1992-06-09 US disclosed
EP-0048024-A1 Improved process for producing 1,3-bis(2-pyridylimino)isoindolines and compositions containing transition metal complexes thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-24 EP 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 (2 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-20190276388-A1 PREPARATION OF AMINO ACIDS AND AMINO ACID DERIVATIVES AADAT, BCAT1, BCAT2 C3AR1 3033/4885ALDH1A1 911/4885KDM4E 3261/4885
US-10774035-B2 Preparation of amino acids and amino acid derivatives AADAT, BCAT1, BCAT2 C3AR1 3033/4885ALDH1A1 911/4885KDM4E 3261/4885

“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.