SCHEMBL2379927

SCHEMBL2379927

O=C(O)CCC/C=C/c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.62
PAM P19021 2/20 0.60
TOP1 P11387 1/20 0.59
ALDH1A1 P00352 3/20 0.55
PPARA Q07869 3/20 0.54
GAA P10253 1/20 0.51
TBXA2R P21731 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
PPARG P37231 3/20 0.47
CYP19A1 P11511 2/20 0.47

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
SCHEMBL1363095 1.00 TBXAS1 (0.62) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL8798110 1.00 TBXAS1 (0.62) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL850919 0.94 TBXAS1 (0.69) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL850920 0.94 TBXAS1 (0.69) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL849353 0.93 TBXAS1 (0.68) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL8093646 0.93 TBXAS1 (0.68) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL5176079 0.93 TBXAS1 (0.68) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL849354 0.93 TBXAS1 (0.68) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL9303907 0.93 TBXAS1 (0.68) TBXAS1PAMTOP1ALDH1A1PPARA
SCHEMBL11606213 0.93 TBXAS1 (0.68) TBXAS1PAMTOP1ALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026280-B2 For therapy of cancer, hematological disorders, e.g., hemoglobinopathies, and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy. ERRANT GENE THERAPEUTICS, LLC (US) 2011-09-27 US claimed
US-7259135-B2 Use of hexenal derivatives as perfumes KAO CORPORATION (JP) 2007-08-21 US claimed
US-20240374689-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2024-11-14 US disclosed
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2024-06-04 US disclosed
CN-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 CN disclosed
US-20230080520-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2023-03-16 US disclosed
US-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME INSTITUTE FOR BASIC SCIENCE (KR) 2022-06-02 US disclosed
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2022-05-31 US disclosed
US-11278595-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2022-03-22 US disclosed
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC 2021-07-08 US disclosed
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2020-12-10 US disclosed
EP-1600151-A1 Perfume particles and a process for preparing the same Kao Corporation (JP) 2005-11-30 EP disclosed
US-20050227908-A1 Ether lactone KAO CORPORATION (JP) 2005-10-13 US disclosed
US-20050130875-A1 Use of hexenal derivates as perfumes KAO CORPORATION (JP) 2005-06-16 US disclosed
US-20050119158-A1 Use of unsaturated ketones as a perfume PROVIDENT BANK 2005-06-02 US disclosed
US-20040162447-A1 2-methyl-4-ethyl-2-octene-1-aldehyde MARKERT THOMAS (DE) 2004-08-19 US disclosed
US-20040138092-A1 2,3, 5, 5-tetramethylhexanal derivatives KAO CORPORATION (JP) 2004-07-15 US disclosed
US-4513005-A SULFIDE OR SULFONE HYDROXY ACIDS LILLY INDUSTRIES LIMITED (GB) 1985-04-23 US disclosed
EP-0068739-B1 SULPHUR-CONTAINING 5-HYDROXY-ALKANOIC ACID DERIVATIVES, THEIR USE AS PHARMACEUTICAL PREPARATIONS AND PROCESS FOR THEIR PRODUCTION Lilly Industries Limited (GB) 1984-11-14 EP disclosed
EP-0068739-A1 Sulphur-containing 5-hydroxy-alkanoic acid derivatives, their use as pharmaceutical preparations and process for their production Lilly Industries Limited (GB) 1983-01-05 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 (13 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-20040138092-A1 2,3, 5, 5-tetramethylhexanal derivatives ADH5, TREH, CFH TBXAS1 538/4885PAM 3653/4885TOP1 1706/4885
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR TBXAS1 1589/4885PAM 983/4885TOP1 4865/4885
US-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 TBXAS1 2549/4885PAM 692/4885TOP1 205/4885
US-20050227908-A1 Ether lactone CYP51A1, ADH5, HSD17B14 TBXAS1 1669/4885PAM 2657/4885TOP1 3618/4885
US-20050119158-A1 Use of unsaturated ketones as a perfume FAAH, FAAH2, FASN TBXAS1 1183/4885PAM 1827/4885TOP1 4102/4885
US-20230080520-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR TBXAS1 1589/4885PAM 983/4885TOP1 4865/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 TBXAS1 2539/4885PAM 604/4885TOP1 97/4885
US-11278595-B2 Peptides comprising non-natural amino acids and methods of making and using the same APLNR, SCTR, GIPR TBXAS1 1589/4885PAM 983/4885TOP1 4865/4885
US-20040162447-A1 2-methyl-4-ethyl-2-octene-1-aldehyde ADH1A, ALDH1A1, ADH5 TBXAS1 2478/4885PAM 3060/4885TOP1 1233/4885
US-20210205415-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR TBXAS1 1665/4885PAM 1091/4885TOP1 4808/4885
US-11998901-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 TBXAS1 2539/4885PAM 604/4885TOP1 97/4885
US-20050130875-A1 Use of hexenal derivates as perfumes ADH1C, ADH5, ZDHHC2 TBXAS1 2112/4885PAM 860/4885TOP1 2249/4885
US-20240374689-A1 HIGHLY ACTIVE POLYPEPTIDES AND METHODS OF MAKING AND USING THE SAME SCTR, GIPR, APLNR TBXAS1 1665/4885PAM 1091/4885TOP1 4808/4885

“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.