SCHEMBL741168

SCHEMBL741168

CC(C#N)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 6/20 0.45
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 3/20 0.42
XBP1 P17861 2/20 0.42
ATM Q13315 2/20 0.42
MDM2 Q00987 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Biphenyl SCHEMBL27609018 0.94 LMNA (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11431494 0.84 PARP10 (0.50) SMN1; SMN2MAPTALDH1A1HPGDRAB9A
SCHEMBL24114905 0.82 SLC6A3 (0.49) ADRA2BTDP1LMNACES2CES1
SCHEMBL28318760 0.82 HSD17B10 (0.38) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL276674 0.81 PGR (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11395457 0.81 PGR (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL20075576 0.80 LMNA (0.51) TDP1LMNACES2CES1SLC6A2
SCHEMBL1143569 0.80 CES2 (0.45) L3MBTL1CES2CES1MAPTALDH1A1
SCHEMBL20074738 0.80 SLC6A2 (0.46) LMNACES2CES1SLC6A2SLC6A3
SCHEMBL2304365 0.80 GSK3B (0.61) SLC6A3SMN1; SMN2MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974721-B Method for synthesizing 2-carbonyl substituted nitrile compound through 2, 2-trifluoroethyl ketone 平顶山学院 2024-07-02 CN claimed
US-9333149-B2 Polymerizable dental material MUHLBAUER THECHNOLOGY GMBH (DE) 2016-05-10 US claimed
US-20150094397-A1 POLYMERIZABLE DENTAL MATERIAL ERNST MUEHLBAUER GMBH & CO. KG. (DE) 2015-04-02 US claimed
US-8883876-B2 Polymerizable dental material MUHLBAUER TECHNOLOGY GMBH (DE) 2014-11-11 US claimed
EP-2512400-B1 Multicomponent system for producing a dental material MUEHLBAUER ERNST GMBH & CO KG (DE) 2013-09-25 EP claimed
EP-2070506-B1 Polymerizable dental material with initiator system and coinitiator MUEHLBAUER ERNST GMBH & CO KG (DE) 2013-04-24 EP claimed
CN-101478947-B Polymerizable dental material MUEHLBAUER ERNST GMBH & CO KG 2013-04-24 CN claimed
EP-2198824-B1 Polymerizable dental material with initiator system MUEHLBAUER ERNST GMBH & CO KG (DE) 2013-02-13 EP claimed
EP-2512400-A2 MULTICOMPONENT SYSTEM FOR PRODUCING A DENTAL MATERIAL Ernst Mühlbauer GmbH & Co.KG (DE) 2012-10-24 EP claimed
US-20120259032-A1 MULTICOMPONENT SYSTEM FOR PRODUCING A DENTAL MATERIAL MUHLBAUER TECHNOLOGY GMBH (DE) 2012-10-11 US claimed
EP-2034946-B1 POLYMERIZABLE DENTAL MATERIAL MUEHLBAUER ERNST GMBH & CO KG (DE) 2010-10-27 EP claimed
EP-2198824-A1 Polymerizable dental material with initiator system Ernst Mühlbauer GmbH & Co.KG (DE) 2010-06-23 EP claimed
US-20100016466-A1 Polymerizable dental material MUHLBAUER TECHNOLOGY GMBH (DE) 2010-01-21 US claimed
CN-101478947-A Polymerizable dental material MUEHLBAUER ERNST GMBH & CO KG (DE) 2009-07-08 CN claimed
EP-2070506-A1 Polymerizable dental material with initiator system and coinitiator Ernst Mühlbauer GmbH & Co.KG (DE) 2009-06-17 EP claimed
EP-2034946-A1 POLYMERIZABLE DENTAL MATERIAL Ernst Mühlbauer GmbH & Co.KG (DE) 2009-03-18 EP claimed
WO-2008000313-A1 POLYMERIZABLE DENTAL MATERIAL ERNST MÜHLBAUER GMBH & CO. KG (DE) 2008-01-03 WO claimed
EP-1872767-A1 Polymérisable dental material Ernst Mühlbauer GmbH & Co.KG (DE) 2008-01-02 EP claimed
US-7141693-B2 Process for producing β-oxonitrile compound or alkali metal salt thereof UBE INDUSTRIES, LTD. (JP) 2006-11-28 US claimed
US-4716237-A Process for the production of 3-oxonitriles DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-12-29 US claimed

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-20150094397-A1 POLYMERIZABLE DENTAL MATERIAL CAD, SMCHD1, CHN2 PGR 2718/4885ADRA2A 3734/4885ADRA2B 4494/4885
US-20100016466-A1 Polymerizable dental material CAD, SMCHD1, CHN2 PGR 2718/4885ADRA2A 3734/4885ADRA2B 4494/4885

“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.