SCHEMBL6467976

SCHEMBL6467976

[CH2]CC(=O)CCCCCC

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 0.56
CES1 P23141 4/20 0.56
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 4/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL9189691 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL27721086 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL7808386 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL7808122 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL4452914 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL7806715 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL1898399 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL17078443 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL9459408 1.00 KMT2A (0.60) KMT2AMAPTCES2CES1GPR84
SCHEMBL28633257 0.98 KMT2A (0.64) KMT2AMAPTCES2CES1GPR84

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 41 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-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-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
EP-3172214-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-05-31 EP disclosed
CN-106661058-A Extended nonlinear acene derivatives and their use as organic semiconductors 默克专利股份有限公司 2017-05-10 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
WO-2016015598-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-04 WO disclosed
EP-0885875-A1 VINYLENE COMPOUNDS AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1998-12-23 EP disclosed
EP-0872484-A1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-10-21 EP disclosed
CN-1195352-A Organosilicon compounds, liquid-crystal composition, and liquid-crystal display element CHISSO CORP (JP) 1998-10-07 CN disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 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
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 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 (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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KMT2A 3219/4885MAPT 1906/4885CES2 1232/4885

“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.