SCHEMBL406856

SCHEMBL406856

O=C(Cc1ccc(OC(=O)ON2C(=O)CCC2=O)cc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 3/20 0.54
HPGD P15428 2/20 0.54
LIPE Q05469 1/20 0.53
FAAH O00519 1/20 0.41
ENPP2 Q13822 1/20 0.41
PAM P19021 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 2/20 0.38

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
SCHEMBL406877 0.84 KMT2A (0.52) L3MBTL1ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL463200 0.81 KMT2A (0.44) L3MBTL1ALDH1A1KMT2AHPGDLIPE
SCHEMBL11323517 0.80 ALDH1A1 (0.47) MAPK1L3MBTL1ALDH1A1KMT2ACCNE1
SCHEMBL142445 0.80 ALDH1A1 (0.47) MAPK1L3MBTL1ALDH1A1KMT2ACCNE1
SCHEMBL5469498 0.80 ALDH1A1 (0.47) MAPK1L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL1279658 0.79 ALDH1A1 (0.46) MAPK1L3MBTL1ALDH1A1KMT2ACCNE1
SCHEMBL7780925 0.79 MAPK1 (0.47) MAPK1L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL2450503 0.79 KMT2A (0.57) MAPK1L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL12417213 0.78 GLA (0.40) KMT2AHPGDSMN1; SMN2
SCHEMBL15999210 0.78 NOTUM (0.51) MAPK1L3MBTL1ALDH1A1KMT2ACCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 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-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 MAPK1 4054/4885L3MBTL1 1342/4885ALDH1A1 270/4885

“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.