SCHEMBL4018743

SCHEMBL4018743

COC(=O)C1Cc2c(Br)cccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PIM1 P11309 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK5 Q00535 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PDE5A O76074 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL30967887 1.00 ACHE (0.41) ACHEKDM4EMAPTLMNAPOLB
SCHEMBL22350226 0.86 KDM4E (0.45) ACHEKDM4EMAPTLMNAPOLB
SCHEMBL31090902 0.86 KDM4E (0.45) ACHEKDM4EMAPTLMNAPOLB
SCHEMBL23857271 0.85 MAPT (0.56) ACHEKDM4EMAPTLMNAMEN1
SCHEMBL30882936 0.85 MAPT (0.56) ACHEKDM4EMAPTLMNAMEN1
SCHEMBL6382066 0.84 ACHE (0.60) ACHEKDM4EMAPTLMNAPOLB
SCHEMBL31278141 0.84 ACHE (0.55) ACHEKDM4EMAPTLMNAPOLB
SCHEMBL23856945 0.82 TSHR (0.41) ACHEKDM4EMAPTLMNAPOLB
SCHEMBL4017850 0.82 ACHE (0.41) ACHEKDM4EMAPTLMNAPOLB
SCHEMBL20096841 0.81 PTPRC (0.43) ACHEKDM4EMAPTLMNAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed
CN-108558665-B Method for preparing alpha-hydroxy-beta-dicarbonyl compound by visible light excited disulfide catalysis 大连理工大学 2021-05-07 CN disclosed
CN-108516937-B Method for preparing chiral alpha-hydroxy-beta-keto ester compound by visible light-initiated aerobic Salan-copper catalyst 大连理工大学 2021-03-26 CN disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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 (1 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C ACHE 108/4885KDM4E 1902/4885MAPT 433/4885

“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.