SCHEMBL5828004

SCHEMBL5828004

O=C(O)C(CCCCO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
POLB P06746 4/20 0.68
KDM4E B2RXH2 1/20 0.68
TP53 P04637 1/20 0.68
GLA P06280 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
NFKB1 P19838 1/20 0.68
APEX1 P27695 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.50
HIF1A Q16665 1/20 0.50
DNMT1 P26358 6/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C19 P33261 1/20 0.48
DNMT3B Q9UBC3 1/20 0.48

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
SCHEMBL30587607 1.00 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL5828001 1.00 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL6896852 0.89 ALDH1A1 (0.79) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL6896845 0.89 ALDH1A1 (0.79) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL3441076 0.86 ALDH1A1 (0.66) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL853260 0.86 ALDH1A1 (0.66) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL28775935 0.86 POLB (0.66) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL24130616 0.85 ALDH1A1 (0.64) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL31661829 0.85 POLB (0.64) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL21851961 0.85 ALDH1A1 (0.64) ALDH1A1POLBKDM4ETP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN disclosed
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 CN disclosed
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 US disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed
CN-113454058-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same 中外制药株式会社 2021-09-28 CN disclosed
WO-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 WO disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
EP-0640617-A1 Substituted azepino (2,1-a)isoquinoline compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-01 EP disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP disclosed
US-5362727-A Treatment of cardiovascular disorders BRISTOL-MYERS SQUIBB (US) 1994-11-08 US disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed
US-4661479-A ENZYME INHIBITORS MERCK AND CO., INC. (US) 1987-04-28 US disclosed
EP-0061187-B1 BICYCLIC LACTAMS AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1986-08-20 EP disclosed
US-4415496-A HYPOTENSIVE AGENTS; 5-OXOTHIAZOLO/3,2-A/AZEPINE DERIVATIVES FROM A PHTHALIMIDE MERCK & CO., INC. (US) 1983-11-15 US disclosed
EP-0061187-A1 Bicyclic lactams as antihypertensives MERCK & CO. INC. (US) 1982-09-29 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 ALDH1A1 4817/4885POLB 4724/4885KDM4E 4113/4885
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 ALDH1A1 3772/4885POLB 4116/4885KDM4E 4568/4885

“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.