SCHEMBL193131

SCHEMBL193131

CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(OC4CCC(O)C(C)(C)O4)cc3oc2=O)ccc1[O-].[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAP1LC3B Q9GZQ8 10/20 0.44
MAP1LC3A Q9H492 10/20 0.44
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 3/20 0.44
POLQ O75417 1/20 0.44
ALB P02768 1/20 0.44
KDR P35968 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL23566341 0.78 HSP90AA1 (0.62) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL13609408 0.72 HSP90AA1 (0.78) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL17049896 0.72 HSP90AA1 (0.78) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL19519357 0.72 HSP90AA1 (0.78) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL10306487 0.72 HSP90AA1 (0.78) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL10306500 0.72 HSP90AA1 (0.78) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL6936704 0.72 HSP90AA1 (0.78) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL13621124 0.72 HSP90AA1 (0.78) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL19519526 0.72 POLB (0.63) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1
SCHEMBL21363089 0.72 HSP90AA1 (0.68) LMNAMAP1LC3BMAP1LC3AHSP90AA1HSP90AB1

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 1807 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028324-A1 MOLECULES FOR THE PREVENTION AND TREATMENT OF NEUROMUSCULAR DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2024-02-08 WO claimed
CN-117384259-A Cell penetrating peptides based on influenza virus M2 proteins 中国医学科学院基础医学研究所 2024-01-12 CN claimed
CN-112912386-B Cell penetrating peptides based on influenza virus M2 proteins 中国医学科学院基础医学研究所 2023-10-20 CN claimed
CN-114191566-B Method for preparing ZIF-8 composite nano material with magnetic targeting, antibacterial and developing functions 上海交通大学 2023-09-29 CN claimed
EP-4057813-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS New Life Crop Sciences LLC (US) 2022-09-21 EP claimed
US-20220169680-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN INSTITUTE OF BASIC MEDICAL SCIENCES CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2022-06-02 US claimed
EP-3912989-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN Institute of Basic Medical Sciences Chinese Academy of Medical Sciences (CN) 2021-11-24 EP claimed
US-20210144998-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS NEW LIFE CROP SCIENCES LLC 2021-05-20 US claimed
WO-2021097410-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS NEW LIFE CROP SCIENCES LLC (US) 2021-05-20 WO claimed
US-20210069230-A1 SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES THE BROAD INSTITUTE, INC. (US) 2021-03-11 US claimed
EP-0800394-A4 PREVENTION OF ADVERSE BEHAVIOUR, DIARRHOEA, SKIN DISORDERS AND INFECTIONS OF THE HIND GUT ASSOCIATED WITH ACIDIC CONDITIONS IN HUMANS AND ANIMALS ROWE JAMES BABER (AU) 2001-06-27 EP claimed
EP-1017402-A4 CONTROL OF ACIDIC GUT SYNDROME UNIV NEW ENGLAND (AU) 2001-05-30 EP claimed
EP-1017402-A1 CONTROL OF ACIDIC GUT SYNDROME UNIVERSITY OF NEW ENGLAND (AU) 2000-07-12 EP claimed
WO-2000021504-A1 ENCAPSULATION OF SENSITIVE LIQUID COMPONENTS INTO A MATRIX TO OBTAIN DISCRETE SHELF-STABLE PARTICLES GENERAL MILLS, INC. (US) 2000-04-20 WO claimed
EP-0935523-A4 EMBEDDING AND ENCAPSULATION OF CONTROLLED RELEASE PARTICLES GEN MILLS INC (US) 1999-12-29 EP claimed
EP-0935523-A1 EMBEDDING AND ENCAPSULATION OF CONTROLLED RELEASE PARTICLES GENERAL MILLS, INC. (US) 1999-08-18 EP claimed
WO-1999000136-A1 CONTROL OF ACIDIC GUT SYNDROME THE UNIVERSITY OF NEW ENGLAND (AU) 1999-01-07 WO claimed
WO-1998018610-A1 EMBEDDING AND ENCAPSULATION OF CONTROLLED RELEASE PARTICLES LENGERICH BERNHARD H VAN (US) 1998-05-07 WO claimed
EP-0800394-A1 PREVENTION OF ADVERSE BEHAVIOUR, DIARRHOEA, SKIN DISORDERS AND INFECTIONS OF THE HIND GUT ASSOCIATED WITH ACIDIC CONDITIONS IN HUMANS AND ANIMALS Rowe, James Baber (AU) 1997-10-15 EP claimed
WO-1996020709-A1 PREVENTION OF ADVERSE BEHAVIOUR, DIARRHOEA, SKIN DISORDERS AND INFECTIONS OF THE HIND GUT ASSOCIATED WITH ACIDIC CONDITIONS IN HUMANS AND ANIMALS ROWE JAMES BABER (AU) 1996-07-11 WO 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-20210144998-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS PNPO, G6PD, AGXT LMNA 1773/4885MAP1LC3B 2975/4885MAP1LC3A 3485/4885
US-20210069230-A1 SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES ABCC1, TSG101, BRCA1 LMNA 4476/4885MAP1LC3B 2762/4885MAP1LC3A 2806/4885

“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.