SCHEMBL4056199

SCHEMBL4056199

O=C(Cl)OCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.42
FABP7 O15540 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL5932825 0.84 KMT2A (0.43) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL5933473 0.84 PPARG (0.46) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL5933468 0.84 KMT2A (0.43) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL9328044 0.83 PPARG (0.42) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL20072237 0.83 POLB (0.51) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL5932833 0.83 PPARG (0.42) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL9328050 0.83 KMT2A (0.46) PPARGPPARAKMT2AFABP5FABP7
SCHEMBL27547 0.82 KMT2A (0.55) KMT2AFABP5FABP7ALDH1A1HTR2A
SCHEMBL29349891 0.82 KMT2A (0.55) KMT2AFABP5FABP7ALDH1A1HTR2A
Methyl Alcohol SCHEMBL28448266 0.81 PPARG (0.44) PPARGPPARAKMT2AFABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101975837-B Method for determining content and purity of L-carnitine in milk powder UNIV ZHEJIANG 2012-02-01 CN claimed
CN-101975837-A Method for determining content and purity of L-carnitine in milk powder UNIV ZHEJIANG 2011-02-16 CN claimed
US-20200146989-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE UNIVERSITY OF COPENHAGEN (DK) 2020-05-14 US disclosed
EP-3559016-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE University of Copenhagen (DK) 2019-10-30 EP disclosed
WO-2018113891-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE UNIVERSITY OF COPENHAGEN (DK) 2018-06-28 WO disclosed
CN-101975837-B Method for determining content and purity of L-carnitine in milk powder UNIV ZHEJIANG 2012-02-01 CN disclosed
CN-101975837-A Method for determining content and purity of L-carnitine in milk powder UNIV ZHEJIANG 2011-02-16 CN disclosed
WO-2009094457-A2 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS (US) 2009-07-30 WO disclosed
WO-2008151179-A2 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-11 WO disclosed
WO-2002018922-A2 HIGH-THROUGHPUT METHOD FOR DETERMINING THE ENANTIOMERIC PURITY OF CHIRAL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-03-07 WO disclosed
US-5633281-A 3,3-diphenyl prop-2-yl amino acid derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 1997-05-27 US disclosed
WO-1993013034-A1 SEPARATION OF AMINO ACIDS, AMINO-ACID-BASED MONOMER, AND PROCESS FOR THE PREPARATION THEREOF, AS WELL AS POLYMER MATERIAL AND PROCESS FOR THE PREPARATION THEREOF BIO-SWEDE AB (SE) 1993-07-08 WO disclosed
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO disclosed
EP-0531443-A4 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN 1993-04-21 EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 EP disclosed
EP-0522808-A2 Aromatic compounds, pharmaceutical compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1993-01-13 EP disclosed
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed
EP-0270595-B1 AN OPTICALLY ACTIVE REAGENT AND A METHOD FOR THE DETERMINATION OF ENANTIOMERIC AMINE COMPOUNDS EKA NOBEL AB (SE) 1990-08-16 EP disclosed
US-4818704-A REACTING WITH FLUORENYL COMPOUND TO FORM CARBAMATE; SEPARATION BY LIQUID CHROMATOGRAPHY EKA NOBEL AB (SE) 1989-04-04 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 (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-20200146989-A1 A CO-AMORPHOUS FORM OF A SUBSTANCE AND A DIPEPTIDE DNPEP, PEPD, IDUA PPARG 3655/4885PPARA 2918/4885KMT2A 3431/4885

“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.