SCHEMBL4447460

SCHEMBL4447460

CC(C)(C(=O)CCl)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MAPT P10636 1/20 0.57
HIF1A Q16665 2/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
TRPA1 O75762 1/20 0.45
GSK3B P49841 1/20 0.45
CYP1A2 P05177 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL4437285 0.83 KMT2A (0.48) KMT2AMAPTHIF1ACYP2C19ALDH1A1
SCHEMBL28602564 0.83 MAPT (0.57) KMT2AMAPTHIF1ACYP2C19ALDH1A1
SCHEMBL270134 0.83 MAPT (0.57) KMT2AMAPTHIF1ACYP2C19ALDH1A1
SCHEMBL6610803 0.81 MAPT (0.55) KMT2AMAPTHIF1ACYP2C19ALDH1A1
SCHEMBL25848127 0.81 MAPT (0.61) KMT2AMAPTHIF1ACYP2C19MAPK1
SCHEMBL5331416 0.81 MAPT (0.55) KMT2AMAPTHIF1ACYP2C19ALDH1A1
SCHEMBL1195864 0.79 CES1 (0.57) KMT2AMAPTHIF1ACYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL29273297 0.79 MAPT (0.59) KMT2AMAPTHIF1ACYP2C19MAPK1
SCHEMBL28430563 0.79 MAPT (0.53) KMT2AMAPTHIF1ACYP2C19ALDH1A1
SCHEMBL4441293 0.79 MAPT (0.53) KMT2AMAPTHIF1ACYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059503-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-05-20 EP claimed
WO-2008051047-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-02 WO claimed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
EP-4396176-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2024-07-10 EP disclosed
WO-2023034946-A1 INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS GENZYME CORPORATION (US) 2023-03-09 WO disclosed
CN-113387781-A Preparation method of alpha-halogenated ketone compound 大连凯飞化学股份有限公司 2021-09-14 CN disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2003064359-A1 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORPORATION (US) 2003-08-07 WO disclosed
EP-0044993-B1 TRIAZOLYLPROPENOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE AS FUNGICIDES AND PLANT GROWTH REGULATORS BAYER AG (DE) 1985-05-29 EP disclosed
EP-0044993-A2 Triazolylpropenol derivatives, process for their preparation as well as their use as fungicides and plant growth regulators BAYER AG (DE) 1982-02-03 EP 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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 KMT2A 3610/4885MAPT 4773/4885HIF1A 3982/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE KMT2A 3971/4885MAPT 3723/4885HIF1A 880/4885

“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.