SCHEMBL7850554

SCHEMBL7850554

CC(C)(C)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 8/20 0.45
MAPT P10636 7/20 0.45
KDM4E B2RXH2 6/20 0.45
KMT2A Q03164 6/20 0.45
F2 P00734 4/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
VDR P11473 3/20 0.44
XBP1 P17861 2/20 0.42
CASP3 P42574 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 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
SCHEMBL14866546 0.83 GAA (0.44) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2514063 0.82 GAA (0.43) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL19351875 0.80 GAA (0.42) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL25095038 0.80 GAA (0.46) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL29565442 0.79 ALDH1A1 (0.46) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL9425523 0.79 ALDH1A1 (0.46) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL30660870 0.79 ALDH1A1 (0.40) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL10851006 0.79 ALDH1A1 (0.40) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL22954047 0.78 GAA (0.47) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL9695998 0.77 GAA (0.43) GAAALDH1A1MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2023-04-27 US disclosed
US-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2021-07-29 US disclosed
US-10927077-B2 Process for preparing intermediate of anti-tumor drug niraparib and intermediate thereof ZAI LAB (SHANGHAI) CO., LTD. (CN) 2021-02-23 US disclosed
US-20200385350-A1 PROCESS FOR PREPARING INTERMEDIATE OF ANTI-TUMOR DRUG NIRAPARIB AND INTERMEDIATE THEREOF ZAI LAB (SHANGHAI) CO., LTD. (CN) 2020-12-10 US disclosed
US-20200048264-A1 Processes for the Preparation of Acalabrutinib and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2020-02-13 US disclosed
US-10030010-B2 Route of synthesis for the preparation of suvorexant SANDOZ AG (CH) 2018-07-24 US disclosed
US-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant SANDOZ AG (CH) 2017-08-03 US disclosed
US-8980326-B2 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents INTEZYNE TECHNOLOGIES, INC. (US) 2015-03-17 US disclosed
US-8258190-B2 Encapsulated contrast agents INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-04 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20110092668-A1 AZIDE FUNCTIONALIZED PEPTIDE TARGETING GROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2011-04-21 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100324259-A1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2010-12-23 US disclosed
US-20100159020-A1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INC. (US) 2010-06-24 US disclosed
US-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides UNIVERSITY OF SOUTH FLORIDA (US) 2010-06-03 US disclosed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US disclosed
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-09 US disclosed
EP-0928296-B1 NO-COMPOUNDS FOR PSEUDO-LIVING RADICAL POLYMERIZATION AKZO NOBEL NV (NL) 2001-12-05 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 (15 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-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant CYP51A1, CYP3A5, HCRTR2 GAA 547/4885ALDH1A1 1386/4885MAPT 663/4885
US-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides IAPP, APP, TTR GAA 95/4885ALDH1A1 4414/4885MAPT 6/4885
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD GAA 218/4885ALDH1A1 269/4885MAPT 2245/4885
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS GAA 2168/4885ALDH1A1 4574/4885MAPT 4112/4885
US-20110092668-A1 AZIDE FUNCTIONALIZED PEPTIDE TARGETING GROUPS IAPP, NGLY1, MSN GAA 1249/4885ALDH1A1 4503/4885MAPT 1128/4885
US-10927077-B2 Process for preparing intermediate of anti-tumor drug niraparib and intermediate thereof PARP1, PARP2, TOP2B GAA 1074/4885ALDH1A1 893/4885MAPT 4724/4885
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP GAA 900/4885ALDH1A1 4667/4885MAPT 876/4885
US-20200048264-A1 Processes for the Preparation of Acalabrutinib and Intermediates Thereof ACACB, ACACA, BTK GAA 1412/4885ALDH1A1 587/4885MAPT 3365/4885
US-20200385350-A1 PROCESS FOR PREPARING INTERMEDIATE OF ANTI-TUMOR DRUG NIRAPARIB AND INTERMEDIATE THEREOF PARP1, PARP2, TOP2B GAA 1074/4885ALDH1A1 893/4885MAPT 4724/4885
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS LIPA, LPXN, CD47 GAA 640/4885ALDH1A1 3588/4885MAPT 2491/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 GAA 2283/4885ALDH1A1 391/4885MAPT 2103/4885
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS CD40, TNFRSF9, NGFR GAA 1375/4885ALDH1A1 2628/4885MAPT 3823/4885
US-10030010-B2 Route of synthesis for the preparation of suvorexant CYP51A1, CYP3A5, HCRTR2 GAA 441/4885ALDH1A1 1560/4885MAPT 687/4885
US-20100159020-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 GAA 757/4885ALDH1A1 4414/4885MAPT 102/4885
US-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP GAA 900/4885ALDH1A1 4667/4885MAPT 876/4885

“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.