SCHEMBL10033481

SCHEMBL10033481

CCCC(CCC)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.50
TAS1R1 Q7RTX1 13/20 0.50
PLA2G2C Q5R387 2/20 0.47
PLA2G2A P14555 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CRAT P43155 1/20 0.41
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL11506429 0.91 PLA2G2C (0.59) TAS1R3TAS1R1PLA2G2CPLA2G2A
SCHEMBL8367402 0.90 TAS1R3 (0.46) TAS1R3TAS1R1PLA2G2CPLA2G2AHDAC7
SCHEMBL9377287 0.89 TAS1R3 (0.43) TAS1R3TAS1R1PLA2G2C
SCHEMBL19412266 0.87 PLA2G2C (0.60) PLA2G2CPLA2G2A
SCHEMBL2666555 0.87 PLA2G2C (0.60) PLA2G2CPLA2G2A
SCHEMBL17193095 0.87 PLA2G2C (0.60) PLA2G2CPLA2G2A
SCHEMBL26637843 0.85 TAS1R3 (0.41) TAS1R3TAS1R1PLA2G2CPLA2G2A
SCHEMBL19190505 0.85 TAS1R3 (0.41) TAS1R3TAS1R1PLA2G2CPLA2G2A
SCHEMBL6547737 0.85 PLA2G2C (0.62) PLA2G2CPLA2G2A
SCHEMBL20662884 0.84 ALDH1A1 (0.48) TAS1R3TAS1R1PLA2G2CPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US claimed
US-4743273-A AMIDE AND KETONE, ANTIDEPOSIT AGENTS UNION OIL COMPANY OF CALIFORNIA (US) 1988-05-10 US claimed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 WO disclosed
US-10286000-B2 Retinoid X receptor-gamma agonists and retinoid X receptor-alpha antagonists for treatment of cancer ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2019-05-14 US disclosed
EP-3431464-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2019-01-23 EP disclosed
WO-2018129405-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (nSMase2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2018-07-12 WO disclosed
US-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-08-27 US disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 EP disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-20120015004-A1 ENCAPSULATED SALTS AND USE IN HIGH ACID BEVERAGES TROPICANA PRODUCTS, INC. (US) 2012-01-19 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS RHODE ISLAND BOARD OF EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS 2007-07-26 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US disclosed
US-4743273-A AMIDE AND KETONE, ANTIDEPOSIT AGENTS UNION OIL COMPANY OF CALIFORNIA (US) 1988-05-10 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 (5 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-20120015004-A1 ENCAPSULATED SALTS AND USE IN HIGH ACID BEVERAGES CEL, LIPC, LIPA TAS1R3 993/4885TAS1R1 1081/4885PLA2G2C 82/4885
US-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES STT3B, STT3A, DDOST TAS1R3 4440/4885TAS1R1 4630/4885PLA2G2C 447/4885
US-20070173437-A1 BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS DSTYK, SRC, PTK2B TAS1R3 2776/4885TAS1R1 3201/4885PLA2G2C 976/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TAS1R3 3547/4885TAS1R1 3075/4885PLA2G2C 2400/4885
US-10286000-B2 Retinoid X receptor-gamma agonists and retinoid X receptor-alpha antagonists for treatment of cancer RXRG, RXRA, RXRB TAS1R3 734/4885TAS1R1 925/4885PLA2G2C 4016/4885

“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.