SCHEMBL2221669

SCHEMBL2221669

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA7 P43166 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ XDH P47989 2/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SNCA P37840 2/20 0.44
▸ DBH P09172 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
SCHEMBL31318322 0.77 TUBB1 (0.55) MAPTRAB9ARECQL
SCHEMBL2127017 0.77 MEN1 (0.61) KDM4EGAAMAPTPOLBXDH
SCHEMBL14645338 0.76 SNCA (0.60) CA12CA1CA2CA7CA9
SCHEMBL29950592 0.76 SNCA (0.60) CA12CA1CA2CA7CA9
SCHEMBL3628327 0.75 MAPT (0.52) CA12CA1CA2CA7CA9
SCHEMBL5468569 0.74 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5439304 0.72 CES2 (0.54) PTGS2MAPTRAB9A
SCHEMBL16359042 0.72 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL14640234 0.71 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL3007220 0.71 KDM4E (0.56) KDM4EMAPTEGFRPTPN1

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 7 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
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-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
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 CA12 546/4885CA1 304/4885CA2 855/4885

“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.

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