SCHEMBL6468666

SCHEMBL6468666

[CH2]CCC(=O)CCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MAPT P10636 1/20 0.60
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
AKR1B1 P15121 1/20 0.50
HAO1 Q9UJM8 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL9759908 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL2560516 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL20943425 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL12500924 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL1412994 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL117081 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL116979 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL951860 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL12500927 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1
SCHEMBL6467413 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
CN-114409680-B PPAR agonists and uses thereof 上海怡立舍生物技术有限公司 2023-11-21 CN disclosed
CN-108250058-B PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases 上海怡立舍生物技术有限公司 2022-02-11 CN disclosed
CN-109212066-A The measuring method of non-fat class organic acid in a kind of tobacco and tobacco product 中国烟草总公司郑州烟草研究院 2019-01-15 CN disclosed
CN-108368265-A Thiadiazoles and pyridine polymers, its synthesis and application thereof 默克专利股份有限公司 2018-08-03 CN disclosed
CN-108148073-A Organic semiconductor compound 默克专利股份有限公司 2018-06-12 CN disclosed
CN-105658761-B Conjugated polymer 默克专利股份有限公司 2018-04-24 CN disclosed
CN-107922369-A Compound for optical activity device 默克专利股份有限公司 2018-04-17 CN disclosed
CN-107915661-A Organic semiconductor compound 默克专利股份有限公司 2018-04-17 CN disclosed
CN-107636040-A Thiadiazolopyridine Polymers, Their Synthesis And Their Use 默克专利股份有限公司 2018-01-26 CN disclosed
CN-106536528-A Polycyclic polymers based on tetra-heteroaryl indacenodithiophenes and their use 默克专利股份有限公司 2017-03-22 CN disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
CN-102026965-A Method for producing isocyanate ASAHI CHEMICAL CORP (JP) 2011-04-20 CN disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KMT2A 3219/4885MAPT 1906/4885CES2 1232/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD KMT2A 1996/4885MAPT 4753/4885CES2 2984/4885

“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.