SCHEMBL2219672

SCHEMBL2219672

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
TSHR P16473 2/20 0.62
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TOP1 P11387 4/20 0.54
PTGS1 P23219 1/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
CFD P00746 1/20 0.40

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
SCHEMBL10767069 0.79 TSHR (0.66) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL6550416 0.78 TSHR (0.75) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL2219667 0.78 TSHR (0.64) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL10674510 0.77 TSHR (0.58) GAATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL30154503 0.77 TSHR (1.00) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL640263 0.77 TSHR (1.00) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL8679606 0.77 TSHR (0.62) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL5462974 0.75 TSHR (0.69) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL8830836 0.75 TSHR (0.70) GAATSHRRAB9AALDH1A1KDM4E
SCHEMBL8350070 0.75 TSHR (0.70) GAATSHRRAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 3767/4885TSHR 4860/4885RAB9A 2876/4885

“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.