SCHEMBL443844

SCHEMBL443844

[CH2]CCCC(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.72
MAPT P10636 3/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
LMNA P02545 2/20 0.72
HDAC1 Q13547 5/20 0.64
HDAC8 Q9BY41 5/20 0.64
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
NPC1 O15118 1/20 0.62
CASP3 P42574 1/20 0.62
RAB9A P51151 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62

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
SCHEMBL55019 0.94 TDP1 (0.76) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL443400 0.92 TDP1 (0.80) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL8206495 0.92 TDP1 (0.80) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL17707227 0.92 TDP1 (0.80) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL3476170 0.92 TDP1 (0.80) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL446368 0.86 MAPT (0.64) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL7068671 0.86 TDP1 (0.95) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL1052631 0.86 TDP1 (0.86) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL8519287 0.84 TDP1 (1.00) TDP1MAPTL3MBTL1LMNAHDAC1
SCHEMBL27516050 0.84 TDP1 (1.00) TDP1MAPTL3MBTL1LMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1411809-A Usage and composition of pyridine onium derivative for curing application TORENTO PHARMACEUTICAL CO LTD (IN) 2003-04-23 CN claimed
CN-1037510-C Indole derivatives HOFFMANN LA ROCHE (CH) 1998-02-25 CN claimed
EP-0548664-B1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives HOFFMANN LA ROCHE (CH) 1995-05-31 EP claimed
CN-1088576-A Indole derivatives HOFFMANN LA ROCHE (CH) 1994-06-29 CN claimed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
CN-114409549-A Fullerene derivative material, preparation method thereof and perovskite solar cell 华能新能源股份有限公司 2022-04-29 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4102668-A β-Halogenoethyl-silanes as plant growth regulators CIBA-GEIGY CORPORATION (US) 1978-07-25 US disclosed
US-4102670-A Beta-halogenoethyl-silanes as plant growth regulators CIBA-GEIGY CORPORATION (US) 1978-07-25 US disclosed
US-4098601-A Beta-halogenoethyl-silanes as plant growth regulators CIBA-GEIGY CORPORATION (US) 1978-07-04 US disclosed
US-4045459-A METHYL-SILANDIOL CIBA-GEIGY CORPORATION (US) 1977-08-30 US disclosed
US-4000275-A BENZIMIDAZO(2,1-B) QUINAZOLIN-12(6H)ONES ELI LILLY AND COMPANY (US) 1976-12-28 US disclosed
US-3985780-A β-Halogenoethyl-silanes as plant growth regulators CIBA-GEIGY CORPORATION (US) 1976-10-12 US disclosed