SCHEMBL84956

SCHEMBL84956

CC(C)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
TDO2 P48775 2/20 0.46
TYR P14679 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ACHE P22303 1/20 0.45
HTT P42858 2/20 0.42
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
PANK3 Q9H999 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.40
DAO P14920 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL12027408 1.00 IDO1 (0.46) IDO1TDO2TYRMEN1KMT2A
Hydrogen Peroxide SCHEMBL8580007 0.94 MEN1 (0.47) IDO1TDO2TYRMEN1KMT2A
SCHEMBL2662627 0.92 CYP17A1 (0.47) IDO1TDO2TYRMEN1KMT2A
Propane SCHEMBL17375310 0.92 MEN1 (0.46) IDO1TDO2TYRMEN1KMT2A
SCHEMBL10805932 0.87 ESR1 (0.54) TYRMEN1KMT2AHTTPANK3
SCHEMBL19440255 0.85 MEN1 (0.50) IDO1TDO2TYRMEN1KMT2A
SCHEMBL12591802 0.85 NFKB1 (0.50) MEN1KMT2APANK3LMNASMN1; SMN2
SCHEMBL18589839 0.85 NFE2L2 (0.58) TYR
SCHEMBL8303307 0.85 SOS1 (0.44) IDO1TDO2MEN1KMT2A
SCHEMBL19120920 0.83 CYP2D6 (0.42) IDO1TDO2TYRMEN1KMT2A

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

Appears in 2923 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478019-A Preparation method of p-fluorophenol 安庆时联新材料有限责任公司 2023-07-25 CN claimed
US-7928134-B2 5-aryl-4,5-dihydro-(1H)-pyrazolines as cannabinoid CB1 receptor agonists SOLVAY PHARMACEUTICALS B.V. (NL) 2011-04-19 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101801934-A 5-aryl-4, 5-dihydro- (1H) -pyrazoles as cannabis sativaPlain CB1Receptor agonists SOLVAY PHARM BV 2010-08-11 CN claimed
EP-2203427-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS Abbott Healthcare Products B.V. (NL) 2010-07-07 EP claimed
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2009037244-A2 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2009-03-26 WO claimed
US-20090082396-A1 5-ARYL-4,5-DIHYDRO-(1H)-PYRAZOLINES AS CANNABINOID CB1 RECEPTOR AGONISTS SOLVAY PHARMACEUTICALS B.V. 2009-03-26 US claimed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
CN-1954456-A Nonaqueous electrolyte solution for lithium secondary battery UBE INDUSTRIES (JP) 2007-04-25 CN claimed
EP-0752981-B1 SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP claimed
US-5030625-A Applying to phytopathogen SANDOZ LTD. (CH) 1991-07-09 US claimed
JP-55098128-A None JP disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed
EP-0246739-A2 Macrolide compounds, their preparation and their use SANKYO COMPANY LIMITED (JP) 1987-11-25 EP disclosed
JP-S5598128-A PREPARATION OF SUBSTITUTED PHENOLS MITSUI PETROCHEM IND LTD 1980-07-25 JP disclosed