SCHEMBL6465582

SCHEMBL6465582

CCc1cc(CC)nc(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
NOS1 P29475 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
CXCR4 P61073 1/20 0.38
CYP1A2 P05177 2/20 0.37
PTGS2 P35354 1/20 0.37
CYP2A6 P11509 1/20 0.37
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.33
TRPA1 O75762 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FABP4 P15090 1/20 0.32

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
SCHEMBL16414475 0.88 NOS3 (0.42) NOS3NOS2NOS1KDM5BCXCR4
SCHEMBL7129717 0.85 NOS3 (0.43) NOS3NOS2NOS1KDM5BCYP1A2
SCHEMBL9126124 0.83 NOS3 (0.38) NOS3NOS2NOS1KDM5BCYP1A2
SCHEMBL2623106 0.83 NOS2 (0.63) NOS3NOS2NOS1
SCHEMBL5898465 0.81 NOS3 (0.40) NOS3NOS2NOS1KDM5BCYP1A2
SCHEMBL5898463 0.81 NOS3 (0.40) NOS3NOS2NOS1KDM5BCXCR4
SCHEMBL6629720 0.81 NOS3 (0.40) NOS3NOS2NOS1KDM5BCXCR4
SCHEMBL14511360 0.81 NOS3 (0.40) NOS3NOS2NOS1KDM5BESR1
SCHEMBL21436419 0.81 NOS3 (0.45) NOS3NOS2NOS1KDM5BCYP1A2
SCHEMBL10730571 0.81 NOS3 (0.47) NOS3NOS2NOS1KDM5BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111389394-A Metal monatomic catalyst and preparation method thereof 南方科技大学 2020-07-10 CN claimed
WO-2024098840-A1 ISOBUTYLENE-BASED CATIONIC SALT POLYMER, PREPARATION METHOD THEREFOR, USE THEREOF, AND ANTIBACTERIAL POLYMER MATERIAL 中国石油化工股份有限公司 2024-05-16 WO disclosed
CN-118027254-A Isobutylene pyridine salt ionic polymer, preparation method and application thereof, and antibacterial high polymer material 中国石油化工股份有限公司 2024-05-14 CN disclosed
WO-2023120542-A1 ADHESIVE COMPOSITION, ADHESIVE FILM FOR CIRCUIT CONNECTION, CONNECTION STRUCTURE, AND METHOD FOR PRODUCING CONNECTION STRUCTURE 昭和電工マテリアルズ株式会社 2023-06-29 WO disclosed
CN-111389394-B Metal monatomic catalyst and preparation method thereof 南方科技大学 2022-10-21 CN disclosed
US-11276825-B2 Organic molecules for use in organic devices CYNORA GMBH (DE) 2022-03-15 US disclosed
US-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-17 US disclosed
CN-111389394-A Metal monatomic catalyst and preparation method thereof 南方科技大学 2020-07-10 CN disclosed
EP-3279193-B1 COMPOUNDS COMPRISING A PHTHALIMIDE GROUP AND CARBAZOLE OR ITS ANALOGUES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-08 EP disclosed
US-10066076-B1 Method for preparing conjugated diene polymer, composition comprising the same and tire comprising the composition LG CHEM, LTD. (KR) 2018-09-04 US disclosed
WO-1999043722-A1 DONOR-MODIFIED OLEFIN POLYMERIZATION CATALYSTS W.R. GRACE & CO.-CONN. (US) 1999-09-02 WO disclosed
EP-0891970-A1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-20 EP disclosed
US-5744281-A P-HYDROXYSTYRENE POLYMER KABUSHIKI KAISHA TOSHIBA (JP) 1998-04-28 US disclosed
US-5658706-A CONTAINING COMPOUND WHICH DECOMPOSES INTO AN ACID KABUSHIKI KAISHA TOSHIBA (JP) 1997-08-19 US disclosed
US-4684693-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing a nitrogen atom and carboxylic acid mono- or dianhydride with N,N'-bis-imide THE DOW CHEMICAL COMPANY (US) 1987-08-04 US disclosed
US-4668767-A Thermosettable polymer or prepolymer prepared from heterocyclic material containing a nitrogen atom and carboxylic acid mono- or dianhydride THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
US-4647616-A Thermosettable polymer or prepolymer prepared from herterocycle material containing a nitrogen atom and carboxylic acid mono- or dianhydride THE DOW CHEMICAL COMPANY (US) 1987-03-03 US disclosed
US-4642359-A DIACYLATING ISOOLEFINS WITH CARBOXYLIC ACID ANHYDRIDES EASTMAN KODAK COMPANY (US) 1987-02-10 US disclosed
US-4317898-A Catalyst and process for the polymerization of olefins STANDARD OIL COMPANY (INDIANA) (US) 1982-03-02 US disclosed
US-4255281-A Alpha-olefin polymerization catalyst and process STANDARD OIL COMPANY (INDIANA) (US) 1981-03-10 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 (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-20210184134-A1 ORGANIC MOLECULES FOR USE IN ORGANIC DEVICES CHRM1, C1S, DNMT3L NOS3 95/4885NOS2 456/4885NOS1 389/4885
US-11276825-B2 Organic molecules for use in organic devices AOX1, OR10J3, L1CAM NOS3 40/4885NOS2 26/4885NOS1 20/4885

“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.