SCHEMBL3190974

SCHEMBL3190974

C=C(C)C(=O)OCCN1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.44
HRH3 Q9Y5N1 3/20 0.43
PAOX Q6QHF9 1/20 0.43
SLC29A1 Q99808 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC18A3 Q16572 1/20 0.37
HTR1B P28222 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
DRD3 P35462 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL12860038 0.94 THRB (0.50) THRBALDH1A1TSHRHRH3PAOX
SCHEMBL235038 0.94 THRB (0.50) THRBALDH1A1TSHRHRH3PAOX
SCHEMBL9292703 0.90 TSHR (0.50) THRBALDH1A1TSHRHRH3PAOX
SCHEMBL10698103 0.88 ALDH1A1 (0.52) THRBALDH1A1TSHRHRH3SLC29A1
SCHEMBL22838359 0.88 THRB (0.49) THRBALDH1A1TSHRSLC29A1KDM4E
SCHEMBL68168 0.87 THRB (0.47) THRBALDH1A1TSHRHRH3HTR1B
SCHEMBL25561203 0.87 TSHR (0.56) THRBALDH1A1TSHRHRH3PAOX
SCHEMBL22852458 0.86 THRB (0.43) THRBALDH1A1TSHRHRH3PAOX
SCHEMBL21274378 0.86 KMT2A (0.46) THRBALDH1A1TSHRKDM4EPOLB
SCHEMBL68651 0.86 KMT2A (0.46) THRBALDH1A1TSHRKDM4EPOLB

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
WO-2018096033-A1 PLATE-SHAPED WORKPIECE, METHOD, AND SYSTEM FOR THE PRODUCTION THEREOF, AND LACQUER COMPOSITION FRIEDRICH KLUMPP GMBH (DE) 2018-05-31 WO disclosed
EP-3326834-A1 PLATE-SHAPED WORKPIECE, METHOD AND SYSTEM FOR THE PRODUCTION OF SAME, AND VARNISH COMPOSITION Friedrich Klumpp GmbH (DE) 2018-05-30 EP disclosed
US-9758606-B2 Cyclopropenium polymers and methods for making the same THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-12 US disclosed
US-20150175727-A1 CYCLOPROPENIUM POLYMERS AND METHODS FOR MAKING THE SAME THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2015-06-25 US disclosed
US-7659324-B2 Accelerators and initiators, both with polymerizable groups, can be cured without problems by radical polymerization, materials being obtained which contain an extremely small proportion of soluble components IVOCLAR VIVADENT AG (LI) 2010-02-09 US disclosed
US-7659324-B2 Accelerators and initiators, both with polymerizable groups, can be cured without problems by radical polymerization, materials being obtained which contain an extremely small proportion of soluble components IVOCLAR VIVADENT AG (LI) 2010-02-09 US disclosed
US-7659324-B2 Accelerators and initiators, both with polymerizable groups, can be cured without problems by radical polymerization, materials being obtained which contain an extremely small proportion of soluble components IVOCLAR VIVADENT AG (LI) 2010-02-09 US disclosed
EP-1574524-B1 Dental material with improved compatibility IVOCLAR VIVADENT AG (LI) 2008-10-08 EP disclosed
US-20070166250-A1 COSMETIC POLYMER COMPOSITION AND COSMETIC MITSUBISHI CHEMICAL CORPORATION 2007-07-19 US disclosed
US-20050203199-A1 Dental materials with improved compatibility IVOCLAR VIVADENT AG 2005-09-15 US disclosed
EP-1574524-A1 Dental material with improved compatibility Ivoclar Vivadent AG (LI) 2005-09-14 EP disclosed
US-20040223933-A1 Cosmetic polymer composition and cosmetic MITSUBISHI CHEMICAL CORPORATION 2004-11-11 US disclosed
EP-1440680-A1 COSMETIC POLYMER COMPOSITION AND COSMETIC Mitsubishi Chemical Corporation (JP) 2004-07-28 EP disclosed
US-6375932-B1 Hair cosmetic composition containing amine-oxide polymer MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-23 US disclosed
US-6123933-A A HAIR COSMETIC COMPRISING AN AMINE-OXIDE CONTAINING WATER-SOLUBLE RESIN, PROVIDES GOOD HAIR CONDITIONING PROPERTY MITSUBISHI CHEMICAL CORPORATION (JP) 2000-09-26 US disclosed
EP-0754444-B1 Hair cosmetic compositions MITSUBISHI CHEM CORP (JP) 1998-05-27 EP disclosed
EP-0754444-A2 Hair cosmetic compositions Mitsubishi Chemical Corporation (JP) 1997-01-22 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-20070166250-A1 COSMETIC POLYMER COMPOSITION AND COSMETIC ERCC1, PCNA, CUTA THRB 2581/4885ALDH1A1 1048/4885TSHR 3606/4885
US-20040223933-A1 Cosmetic polymer composition and cosmetic PCNA, ERCC1, CUTA THRB 2269/4885ALDH1A1 1133/4885TSHR 3309/4885

“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.