SCHEMBL5081383

SCHEMBL5081383

CC(CO)CC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.46
FOLH1 Q04609 2/20 0.46
ENPEP Q07075 2/20 0.46
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
BLM P54132 1/20 0.41
TRPA1 O75762 2/20 0.40
ACE2 Q9BYF1 1/20 0.39
OR51E2 Q9H255 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL23499736 0.86 NAALAD2 (0.52) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL23499629 0.83 NAALAD2 (0.50) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL443229 0.80 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL10938417 0.80 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL7314519 0.80 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL9272361 0.79 NAALAD2 (0.46) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL4213397 0.79 RNPEP (0.48) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL9550634 0.79 NAALAD2 (0.46) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL1572858 0.79 NAALAD2 (0.46) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL61073 0.77

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
EP-2788326-B1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE GALDERMA RES & DEV (FR) 2019-04-24 EP disclosed
EP-3029131-A1 PRODUCTION METHOD FOR COMPOSITE POLYESTER COMPOSITION, COMPOSITE POLYESTER COMPOSITION, LUBRICANT COMPOSITION, AND LUBRICANT Fujifilm Corporation (JP) 2016-06-08 EP disclosed
WO-2011008232-A2 BIOSYNTHETIC ROUTES TO LONG-CHAIN a, w-HYDROXY ACIDS, DIACIDS AND THEIR CONVERSION TO OLIGOMERS AND POLYMERS DNA 2.0 INC. (US) 2011-01-20 WO disclosed
US-7414155-B2 Process for the hydroformylation of an ethylenically unsaturated compound SHELL OIL COMPANY (US) 2008-08-19 US disclosed
EP-1542798-B1 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND USING A BIDENTATE DIPHOSPHINE COMPOSITION WITH A BRIDGING GROUP COMPRISING SP2 HYBRIDIZED CARBON ATOMS BOUND TO THE PHOSPHOROUS ATOMS SHELL INT RESEARCH (NL) 2007-11-14 EP disclosed
US-20070238892-A1 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND DRENT EIT 2007-10-11 US disclosed
US-7250538-B2 Process for the hydroformylation of an ethylenically unsaturated compound SHELL OIL COMPANY (US) 2007-07-31 US disclosed
EP-1542798-A2 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND USING A BIDENTATE DIPHOSPHINE COMPOSITION WITH A BRIDGING GROUP COMPRISING SP2 HYBRIDIZED CARBON ATOMS BOUND TO THE PHOSPHOROUS ATOMS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-06-22 EP disclosed
US-20040167362-A1 Process for the hydroformylation of an ethylenically unsaturated compound SHELL OIL COMPANY 2004-08-26 US disclosed
WO-2004028689-A2 PROCESS FOR THE HYDROFORMYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND USING A BIDENTATE DIPHOSPHINE COMPOSITION WITH A BRIDGING GROUP COMPRISING SP2 HYBRIDIZED CARBON ATOMS BOUND TO THE PHOSPHOROUS ATOMS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-04-08 WO disclosed
US-5155237-A Heating low molecular weight polylactones in presence of alkali metal, ammonium or phosphonium cations E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
EP-0408255-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-16 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 (1 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP NAALAD2 459/4885FOLH1 6/4885ENPEP 13/4885

“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.