SCHEMBL2116949

SCHEMBL2116949

CCOC(=O)n1ccc2c(OC)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR2C P28335 1/20 0.46
HTR6 P50406 2/20 0.45
FABP4 P15090 2/20 0.44
MTNR1B P49286 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MTNR1A P48039 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
NOTUM Q6P988 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
PLIN1 O60240 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
NTRK1 P04629 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
SCHEMBL29015481 0.85 HTR6 (0.46) KDM4EALDH1A1HTR2CHTR6FABP4
SCHEMBL2116947 0.83 NOTUM (0.44) KDM4EALDH1A1HTR2CFABP4MEN1
SCHEMBL2118407 0.82 CA12 (0.49) KDM4EALDH1A1HTR2CHTR6NOTUM
SCHEMBL29992724 0.81 HTR6 (0.52) KDM4EALDH1A1HTR2CHTR6FABP4
SCHEMBL15018734 0.81 HTR6 (0.52) KDM4EALDH1A1HTR2CHTR6FABP4
SCHEMBL29992759 0.81 FABP4 (0.46) HTR2CHTR6FABP4FFAR4NOTUM
SCHEMBL8211914 0.81 FABP4 (0.46) HTR2CHTR6FABP4FFAR4NOTUM
SCHEMBL23071596 0.81 KDM4E (0.42) KDM4EALDH1A1NOTUMLMNAMAPT
SCHEMBL20707566 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HTR2CFABP4MEN1
SCHEMBL20696078 0.81 CA12 (0.47) KDM4EALDH1A1HTR2CHTR6NOTUM

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 KDM4E 2005/4885ALDH1A1 3676/4885HTR2C 129/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B KDM4E 2005/4885ALDH1A1 3676/4885HTR2C 129/4885

“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.