SCHEMBL49923

SCHEMBL49923

CCCCC(CC)C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 1.00
CA1 P00915 4/20 1.00
MAPK1 P28482 2/20 0.59
ZDHHC7 Q9NXF8 1/20 0.50
TSHR P16473 3/20 0.44
ATM Q13315 2/20 0.44
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BIRC2 Q13490 2/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 1/20 0.41

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
SCHEMBL17617128 1.00 CA2 (1.00) CA2CA1MAPK1ZDHHC7TSHR
SCHEMBL17617133 1.00 CA2 (1.00) CA2CA1MAPK1ZDHHC7TSHR
SCHEMBL28090223 0.98 CA2 (0.96) CA2CA1MAPK1ZDHHC7TSHR
Hydrochloric Acid SCHEMBL28044610 0.98 CA2 (0.96) CA2CA1MAPK1ZDHHC7TSHR
Methylsulfanylmethane SCHEMBL29737728 0.94 CA2 (0.89) CA2CA1MAPK1ZDHHC7TSHR
SCHEMBL4361741 0.94 CA2 (0.88) CA2CA1MAPK1ZDHHC7BIRC2
Butanone SCHEMBL31244605 0.92 CA2 (0.85) CA2CA1MAPK1ZDHHC7TSHR
SCHEMBL2531207 0.92 CA2 (0.85) CA2CA1MAPK1ZDHHC7BIRC2
SCHEMBL11650069 0.92 CA2 (0.85) CA2CA1MAPK1ZDHHC7BIRC2
SCHEMBL8963954 0.92 CA2 (0.85) CA2CA1MAPK1ZDHHC7BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12543773-B2 Method and system to monitor tobacco material to detect insect infestation PHILIP MORRIS PRODUCTS S.A. (CH) 2026-02-10 US claimed
CN-119979405-A Paraquatics burkholderia capable of promoting tobacco seedling growth under low temperature and drought conditions, screening method and application 西南大学 2025-05-13 CN claimed
CN-119913356-A Extractant, preparation method and application thereof 浙江大学衢州研究院 2025-05-02 CN claimed
CN-118948864-A Composition for relieving stomach ache from lilac flower, preparation and application thereof 内蒙古农业大学 2024-11-15 CN claimed
CN-112996766-B Synthesis of triethylene glycol bis (2-ethylhexanoate) 伊士曼化工公司 2024-07-05 CN claimed
CN-113166028-B Using multi-phase AU/TIO 2 Catalyst for synthesizing ester 伊士曼化工公司 2024-03-12 CN claimed
US-20240049765-A1 METHOD AND SYSTEM TO MONITOR TOBACCO MATERIAL TO DETECT INSECT INFESTATION PHILIP MORRIS PRODUCTS S.A. (CH) 2024-02-15 US claimed
US-11827595-B2 Ester synthesis using heterogeneous Au/TiO2 catalyst EASTMAN CHEMICAL COMPANY (US) 2023-11-28 US claimed
EP-4266912-A1 METHOD AND SYSTEM TO MONITOR TOBACCO MATERIAL TO DETECT INSECT INFESTATION Philip Morris Products S.A. (CH) 2023-11-01 EP claimed
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 CN claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
US-5936129-A PREVENTING BY-PRODUCT PRODUCTION OF CHEMICAL CONDENSATION REACTION, REACTING A HINDERED ALIPHATIC ESTER AND A KETONE IN PRESENCE OF A STRONG BASE AND A SOLVENT, REACTING THE FORMED SOLUTION WITH THE KETONE HENKEL CORPORATION (US) 1999-08-10 US claimed
CN-1197081-A Aqueous dispersions of polymerizable reactants and water incompatible catalyst sorbed on inorganic particulate carrier and polymers produced thereby ATOCHEM NORTH AMERICA ELF (US) 1998-10-28 CN claimed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US claimed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 US claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO claimed
US-4153776-A Amide-modified urethane acrylate radiation curable compounds and coating compositions and methods of making same PPG INDUSTRIES, INC. (US) 1979-05-08 US 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-12543773-B2 Method and system to monitor tobacco material to detect insect infestation DDT, OR10J3, SMAD2 CA2 2834/4885CA1 4016/4885MAPK1 610/4885
US-11827595-B2 Ester synthesis using heterogeneous Au/TiO2 catalyst ADH1A, ADH5, ELOVL6 CA2 4125/4885CA1 1731/4885MAPK1 4149/4885

“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.