SCHEMBL2117909

SCHEMBL2117909

CCOC(=O)n1ccc2cccc(OC)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FABP4 P15090 1/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PLIN1 O60240 1/20 0.40
POLB P06746 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TNF P01375 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 3/20 0.39
LPO P22079 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 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 0.83 KMT2A (0.42) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL2117227 0.83 KMT2A (0.42) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL2117213 0.82 CA12 (0.49) KMT2ACNR2LMNAMAPTKDM4E
SCHEMBL30826403 0.81 NOTUM (0.50) MEN1KMT2AFABP4LMNAMAPT
SCHEMBL30405202 0.81 FABP4 (0.48) MEN1KMT2AFABP4LMNAKDM4E
SCHEMBL29187805 0.81 NOTUM (0.50) MEN1KMT2AFABP4LMNAMAPT
SCHEMBL26240527 0.81 ACLY (0.46) FABP4CNR2LMNAKDM4EALDH1A1
SCHEMBL2117830 0.81 ALDH1A1 (0.42) KMT2ALMNAMAPTALDH1A1CYP1A2
SCHEMBL24110585 0.77 FABP4 (0.43) MEN1KMT2AFABP4CNR2LMNA
SCHEMBL20905146 0.77 FABP4 (0.42) MEN1KMT2AFABP4LMNAKDM4E

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 6 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
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 MEN1 3403/4885KMT2A 2726/4885FABP4 1591/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B MEN1 3403/4885KMT2A 2726/4885FABP4 1591/4885

“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.