SCHEMBL2117213

SCHEMBL2117213

CCOC(=O)n1ccc2cccc(O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
LPO P22079 4/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
CDC25B P30305 1/20 0.39
BCHE P06276 1/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL30109225 0.86 KMT2A (0.42) CA12CA1CA2CA7CA9
SCHEMBL2117227 0.86 KMT2A (0.42) CA12CA1CA2CA7CA9
SCHEMBL2117830 0.83 ALDH1A1 (0.42) LPOCYP1A2LMNACDC25BBCHE
SCHEMBL2117909 0.82 MEN1 (0.42) SMN1; SMN2GAALPOCYP1A2LMNA
SCHEMBL3872202 0.78 TNF (0.45) CA12CA1CA2CA7CA9
SCHEMBL30405639 0.76 RAB9A (0.41) CA12CA1CA2CA7CA9
SCHEMBL5635947 0.76 BCHE (0.45) SMN1; SMN2CYP1A2LMNABCHERAB9A
SCHEMBL30109103 0.76 NOTUM (0.61) SMN1; SMN2LPOCYP1A2LMNABCHE
SCHEMBL600415 0.76 NOTUM (0.61) SMN1; SMN2LPOCYP1A2LMNABCHE
SCHEMBL2118407 0.75 CA12 (0.49) CA12CA1CA2CA7CA9

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
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CA12 4304/4885CA1 2869/4885CA2 1486/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CA12 4304/4885CA1 2869/4885CA2 1486/4885

“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.