SCHEMBL10320741

SCHEMBL10320741

COC(=O)c1cc2cc(OCCN3CCOCC3)c(OC)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 4/20 0.50
RAD52 P43351 1/20 0.50
IDH1 O75874 1/20 0.49
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 2/20 0.45
MAPK1 P28482 1/20 0.45
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
SYK P43405 1/20 0.44
RCE1 Q9Y256 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP3K11 Q16584 1/20 0.43

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
SCHEMBL10318463 0.91 KDM4E (0.51) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL10320680 0.84 DYRK1A (0.71) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL11301996 0.84 DYRK1A (0.55) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL11950360 0.83 DYRK1A (0.60) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL11427451 0.83 KDM4E (0.46) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL21676385 0.83 SYK (0.55) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL10319373 0.81 DYRK1A (0.61) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL10319867 0.81 DYRK1A (0.54) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL10318671 0.81 DYRK1A (0.54) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL11427441 0.81 KDM4E (0.45) KDM4EALDH1A1LMNARAD52IDH1

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
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA KDM4E 1393/4885ALDH1A1 62/4885LMNA 4174/4885

“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.