SCHEMBL644839

SCHEMBL644839

Fc1ccc2ccc[c]c2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
AHR P35869 1/20 0.33
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL643603 0.83 CYP1A2 (0.48) CYP1A2CYP2A6AHRBACE1KDM4E
SCHEMBL2318612 0.77 ESR1 (0.35) CYP1A2BACE1NPC1ALDH1A1RAB9A
SCHEMBL756551 0.76 CYP2A6 (0.32) CYP2A6
SCHEMBL2257839 0.76 CYP3A4 (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL644725 0.74 CYP2A6 (0.48) CYP1A2CYP2A6AHRBACE1KDM4E
SCHEMBL18242373 0.74
SCHEMBL645539 0.74 CYP2A6 (0.48) CYP1A2CYP2A6BACE1KDM4EALDH1A1
SCHEMBL643621 0.74 CYP2A6 (0.48) CYP2A6AHRALDH1A1SMN1; SMN2
SCHEMBL1090982 0.74 CYP1A2 (0.48) CYP1A2NPC1ALDH1A1RAB9ACA2
SCHEMBL1921671 0.74 ALDH1A1 (0.32) CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117983306-A Catalyst containing PCCP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983299-A PNNP-F ligand-containing catalyst for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983305-A Catalyst containing aromatic heterocycle-aliphatic ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983304-A Catalyst containing tetraphosphine ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983301-A PNNP-aliphatic ligand-containing ethylene selective tetramerization catalyst and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983300-A Catalyst containing N-triptycene ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-116726998-A Catalyst containing biphosphine ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2023-09-12 CN claimed
CN-116726991-A PNP ligand-containing catalyst for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2023-09-12 CN claimed
US-6235753-B1 TUMOR NECROSIS FACTOR; AUTOIMMUNE DISEASES; ANTIALLERGENS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US claimed
US-5559154-A Tri- and tetra-substituted guanidines and their use as excitatory amino acid antagonists OREGON STATE BOARD OF HIGHER EDUCATION 1996-09-24 US claimed
US-5262568-A Neuroprotective compounds, high binding affinity for phencyclidine, nervous system disorders STATE OF OREGON (US) 1993-11-16 US claimed
EP-0354094-B1 INDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SYNTHELABO (FR) 1991-12-27 EP claimed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US claimed
JP-2073062-A None JP disclosed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-20240201593-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-06-20 US disclosed
JP-H0273062-A INDOLONE DERIVATIVE, ITS PREPARATION, AND DRUG CONTAINING IT SYNTHELABO SA 1990-03-13 JP disclosed
EP-0354094-A1 Indolone derivatives, their preparation and their therapeutical use SYNTHELABO (FR) 1990-02-07 EP disclosed
US-4260816-A HYPOGLYCEMIC, HYPOLIPIDEMIC AGENTS, TREATMENT OF DIABETES AMERICAN CYANAMID COMPANY (US) 1981-04-07 US disclosed