SCHEMBL5542149

SCHEMBL5542149

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
OR51E2 Q9H255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL10458941 0.76 SMN1; SMN2 (0.57) TDP1CYP2C9TSHROR51E2SMN1; SMN2
SCHEMBL28231517 0.76 CYP2C9 (0.37) CYP2C9TSHROR51E2SMN1; SMN2
SCHEMBL8148163 0.76 ALDH1A1 (0.46) ALDH1A1TDP1CYP2C9TSHRTRPA1
SCHEMBL8529540 0.75 SMN1; SMN2 (0.50) ALDH1A1TDP1OR51E2SMN1; SMN2
SCHEMBL11298249 0.75 CYP2C9 (0.43) ALDH1A1TDP1CYP2C9TSHR
SCHEMBL5270053 0.75
SCHEMBL13356574 0.75
SCHEMBL13078571 0.75
SCHEMBL18323561 0.74 ALDH1A1 (0.50) ALDH1A1TDP1CYP2C9TSHRTRPA1
SCHEMBL14277959 0.73 TSHR (0.40) ALDH1A1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104098455-B Method for preparing dihydroxyacetone through glycerol oxidation 江苏工程职业技术学院 2017-02-15 CN disclosed
WO-2014102840-A1 METHOD FOR THE SELECTIVE OXIDATION OF GLYCEROL TO DIHYDROXYACETONE SPANU PIETRO (IT) 2014-07-03 WO disclosed
US-7169588-B2 Bioconversion of a fermentable carbon source to 1,3-propanediol by a single microorganism E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-30 US disclosed
US-20030082756-A1 1,3-propanediol and polymer derivatives from a fermentable carbon source BURCH ROBERT R (US) 2003-05-01 US disclosed
US-6428767-B1 IDENTIFYING PRESENCE OF BIOSOURCED 1,3-PROPANEDIOL BY DETERMINING THE ISOTOPE AMOUNT; USED IN POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY 2002-08-06 US disclosed
EP-1222303-A2 1,3-PROPANEDIOL AND POLYMER DERIVATIVES FROM A FERMENTABLE CARBON SOURCE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-07-17 EP disclosed
WO-2001011070-A2 1,3-PROPANEDIOL AND POLYMER DERIVATIVES FROM A FERMENTABLE CARBON SOURCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-02-15 WO disclosed
US-4163681-A Desensitized explosives and castable thermally stable high energy explosive compositions therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-08-07 US 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-20030082756-A1 1,3-propanediol and polymer derivatives from a fermentable carbon source PGD, PHGDH, HPD ALDH1A1 184/4885TDP1 1102/4885CYP2C9 535/4885

“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.