SCHEMBL1066136

SCHEMBL1066136

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

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9246782 0.87 ALDH1A1 (0.39) ALDH1A1
SCHEMBL5681862 0.82 MEN1 (0.32) ALDH1A1
SCHEMBL4318488 0.82 ALDH1A1 (0.47) ALDH1A1
SCHEMBL16033727 0.81 PIK3CD (0.31) ALDH1A1
SCHEMBL8550995 0.78
SCHEMBL18388135 0.77 NUDT1 (0.30)
SCHEMBL25759758 0.77
SCHEMBL2625536 0.76 MEN1 (0.30) ALDH1A1
SCHEMBL7029857 0.75 ALDH1A1 (0.42) ALDH1A1
SCHEMBL12478173 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101351492-B Late addition to effect compositional modifications in condensation polymers EASTMAN CHEMICAL CO. (US) 2011-12-14 CN claimed
CN-101351492-A Late addition to effect compositional modifications in condensation polymers EASTMAN CHEM CO (US) 2009-01-21 CN claimed
US-20040116619-A1 Polyester resins with improved properties POLYMERS AUSTRALIA PTY LIMITED (AU) 2004-06-17 US claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-20170210852-A1 DEGRADABLE AMINO ACID-BASED POLY (ESTER UREA) COPOLYMER ADHESIVES THE UNIVERSITY OF AKRON (US) 2017-07-27 US disclosed
EP-1288254-B1 Liquid benzoate ester compositions and aqueous polymer compositions containing the same as plasticizers EASTMAN SPECIALTIES HOLDINGS CORP (US) 2014-06-25 EP disclosed
EP-2698835-A1 Compound with branching alkyl-chains, method for preparing the same, and use thereof in photoelectric device Peking University (CN) 2014-02-19 EP disclosed
EP-2064277-B1 FILM FORMING COMPOSITIONS CONTAINING MIXTURES OF BENZOIC ACID ESTERS EASTMAN SPECIALTIES HOLDINGS CORP (US) 2012-12-05 EP disclosed
US-8207253-B2 Mixed aryl/alkyl diester compositions EASTMAN SPECIALTIES HOLDINGS CORPORATION (US) 2012-06-26 US disclosed
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
US-7872063-B2 Film forming compositions containing mixtures of benzoic acid esters GENOVIQUE SPECIALTIES HOLDINGS CORPORATION (US) 2011-01-18 US disclosed
EP-0069811-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-10-24 EP disclosed
EP-0034876-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-08-29 EP disclosed
US-4454328-A SWEETENERS PFIZER INC. (US) 1984-06-12 US disclosed
US-4411925-A STABLE SWEETENERS PFIZER INC. (US) 1983-10-25 US disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 US disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 EP disclosed
EP-0034876-A2 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1981-09-02 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-20170210852-A1 DEGRADABLE AMINO ACID-BASED POLY (ESTER UREA) COPOLYMER ADHESIVES PNMT, UBE3A, PCNA ALDH1A1 676/4885

“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.