SCHEMBL10318463

SCHEMBL10318463

COc1cc2[nH]c(=O)c(C(=O)O)cc2cc1OCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 8/20 0.49
LMNA P02545 3/20 0.49
RAD52 P43351 1/20 0.49
IDH1 O75874 1/20 0.48
MAPK1 P28482 2/20 0.45
ADORA2A P29274 2/20 0.45
PKM P14618 1/20 0.45
SYK P43405 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
RCE1 Q9Y256 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TNF P01375 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
SCHEMBL10320741 0.91 KDM4E (0.52) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL11427451 0.90 KDM4E (0.46) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL11427441 0.85 KDM4E (0.45) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL21676385 0.84 SYK (0.55) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL10319373 0.84 DYRK1A (0.61) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL10319010 0.81 ALDH1A1 (0.52) KDM4EALDH1A1LMNANPSR1POLB
SCHEMBL10318325 0.81 ALDH1A1 (0.52) KDM4EALDH1A1LMNANPSR1POLB
SCHEMBL10320680 0.80 DYRK1A (0.71) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL11301996 0.80 DYRK1A (0.55) KDM4EALDH1A1LMNARAD52IDH1
SCHEMBL11950360 0.79 DYRK1A (0.60) 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 7 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 claimed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US claimed
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.