SCHEMBL2221664

SCHEMBL2221664

C=CC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.59
ABAT P80404 1/20 0.59
SNCA P37840 3/20 0.58
MAPT P10636 4/20 0.56
TERT O14746 1/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
POLB P06746 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
PTGS2 P35354 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
Hydrochloric Acid SCHEMBL15861834 0.98 ALDH5A1 (0.57) ALDH5A1ABATSNCAMAPTTERT
SCHEMBL20869224 0.82 ALDH5A1 (0.53) ALDH5A1ABATSNCAMAPTTERT
SCHEMBL8871990 0.82 ALDH5A1 (0.53) ALDH5A1ABATSNCAMAPTKDM4E
SCHEMBL27661457 0.80 ALDH5A1 (0.52) ALDH5A1ABATSNCAMAPTTERT
SCHEMBL27762114 0.80 ALDH1A1 (0.53) ALDH5A1ABATMAPTKDM4EGAA
SCHEMBL29950592 0.80 SNCA (0.60) SNCAMAPTTERTKDM4EGAA
SCHEMBL14645338 0.80 SNCA (0.60) SNCAMAPTTERTKDM4EGAA
Protocatechuic Acid SCHEMBL28579915 0.79 KDM4E (0.76) SNCAMAPTTERTKDM4EGAA
SCHEMBL16784591 0.79 ALDH5A1 (0.50) ALDH5A1ABATSNCAMAPTTERT
SCHEMBL14879997 0.79 PKM (0.61) ALDH5A1ABATSNCAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936577-A Preparation method of E-3,4-dihydroxyphenylvinyl ketone and application thereof as nerve protection drug UNIV BEIJING 2014-07-23 CN disclosed
US-8778643-B2 Methods for increasing lipid levels and producing triacylglycerols in algae THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-15 US disclosed
US-20130273620-A1 METHODS FOR ALTERING LIPIDS IN ALGAE AND YEAST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-17 US disclosed
US-20130053594-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS THE UNIVERSITY OF CHICAGO (US) 2013-02-28 US disclosed
WO-2011084710-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS THE UNIVERSITY OF CHICAGO (US) 2011-07-14 WO disclosed
CN-100346776-C Remedies TAKARA BIO INC (JP) 2007-11-07 CN disclosed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO disclosed
CN-1633411-A Compounds for modulating cell proliferation HOSPITAL FOR SICK CHILDREN (CA) 2005-06-29 CN disclosed
CN-1419448-A Remedies TAKARA BIO INC (JP) 2003-05-21 CN disclosed
EP-0232679-B1 SYNTHETIC ORGANIC POLYMERS FOR THE SELECTIVE FLOCCULATION OF TITANIUM AND IRON ORES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1990-07-25 EP disclosed
US-4698171-A Synthetic organic polymers for the selective flocculation of titanium and iron ores CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-10-06 US disclosed
EP-0232679-A1 Synthetic organic polymers for the selective flocculation of titanium and iron ores CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-08-19 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-20130053594-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS PCNA, PUF60, PPIG ALDH5A1 3372/4885ABAT 2281/4885SNCA 3934/4885

“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.