SCHEMBL5521189

SCHEMBL5521189

O=Cc1ccc(CO)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
PTGS2 P35354 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 6/20 0.48
AOX1 Q06278 1/20 0.48
ALDH5A1 P51649 3/20 0.44
ABAT P80404 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TRIM24 O15164 1/20 0.44
HPGD P15428 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
TTR P02766 1/20 0.40
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
XDH P47989 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LCK P06239 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL30225085 0.83 KDM4E (0.59) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL4371754 0.83 KDM4E (0.59) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL3431177 0.83 KDM4E (0.59) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL2601956 0.83 KDM4E (0.46) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL29951708 0.82 KDM4E (0.57) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL27453852 0.82 ALDH1A1 (0.43) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL8799179 0.80 KDM4E (0.55) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL17058725 0.80 KDM4E (0.50) KDM4EPTGS2RAB9AALDH1A1AOX1
SCHEMBL27837492 0.79 TRPA1 (0.44) KDM4EPTGS2RAB9AALDH1A1TDP1
SCHEMBL7251582 0.79 KDM4E (0.53) KDM4EPTGS2RAB9AALDH1A1AOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof PROSETTA BIOSCIENCES, INC. (US) 2024-07-02 US disclosed
US-9512063-B2 Process for the preparation of advantame DIVI'S LABORATORIES LIMITED (IN) 2016-12-06 US disclosed
US-20160304439-A1 PROCESS FOR THE PREPARATION OF ADVANTAME DIVI'S LABORATORIES LIMITED (IN) 2016-10-20 US disclosed
US-20160194274-A1 PHENANTHRENE DERIVATIVES FOR USE AS MEDICAMENTS VALENTIA BIOPHARMA (ES) 2016-07-07 US disclosed
US-9085559-B2 Triazine-aryl-bis-indoles and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-21 US disclosed
US-20120283263-A1 TRIAZINE-ARYL-BIS-INDOLES AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-08 US disclosed
US-20100087475-A1 PHARMACEUTICAL COMPOUNDS Biovali Laboratories International (Barbados) S.R.L. (BB) 2010-04-08 US disclosed
WO-2010026436-A2 PHARMACEUTICAL COMPOUNDS BIOVAIL LABORATORIES INTERNATIONAL (BARBADOS) SRL (BB) 2010-03-11 WO disclosed
US-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 US disclosed
US-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2005-07-07 US disclosed
EP-0947498-B1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVES, AND PROCESS FOR PREPARING THE SAME CHISSO CORP (JP) 2004-09-15 EP disclosed
US-6632955-B1 Optically active 1-substituted phenyl-2-nitro alcohol derivatives which are useful pharmaceutical intermediates. Enantiomotphs active 1-substituted phenyl-2-nitro alcohol derivatives. From these nitro alcohol such as albutramin and CHISSO CORPORATION (JP) 2003-10-14 US disclosed
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2002-12-19 US disclosed
EP-0947498-A1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATES, AND PROCESS FOR PREPARING THE SAME CHISSO CORPORATION (JP) 1999-10-06 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 (9 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-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 KDM4E 3275/4885PTGS2 1535/4885RAB9A 951/4885
US-20120283263-A1 TRIAZINE-ARYL-BIS-INDOLES AND PROCESS FOR PREPARATION THEREOF AHR, IDO2, IDO1 KDM4E 910/4885PTGS2 184/4885RAB9A 3417/4885
US-12024521-B2 Isoquinoline derivatives, methods of synthesis and uses thereof POLRMT, MAVS, SYNCRIP KDM4E 2540/4885PTGS2 1407/4885RAB9A 1825/4885
US-20160304439-A1 PROCESS FOR THE PREPARATION OF ADVANTAME TASP1, ASPH, COMT KDM4E 563/4885PTGS2 4547/4885RAB9A 4815/4885
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines GABBR2, GABBR1, GABRB3 KDM4E 4050/4885PTGS2 301/4885RAB9A 2984/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 KDM4E 3275/4885PTGS2 1535/4885RAB9A 951/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 KDM4E 3071/4885PTGS2 1490/4885RAB9A 1036/4885
US-20100087475-A1 PHARMACEUTICAL COMPOUNDS UGT2B7, CYP3A7, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 1817/4885PTGS2 1125/4885RAB9A 319/4885
US-20160194274-A1 PHENANTHRENE DERIVATIVES FOR USE AS MEDICAMENTS HTT, TARDBP, ATXN2 KDM4E 1260/4885PTGS2 3146/4885RAB9A 3550/4885

“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.