SCHEMBL3547434

SCHEMBL3547434

O=C(O)C(COCc1ccccc1)(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.54
ALDH1A1 P00352 4/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
CA1 P00915 1/20 0.44
PPARA Q07869 1/20 0.43
MAOB P27338 1/20 0.43
PARP10 Q53GL7 1/20 0.43
SLC1A1 P43005 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7122913 0.89 KDM4E (0.49) KDM4EPOLBTSHRALDH1A1NR4A1
SCHEMBL8839506 0.84 KDM4E (0.55) KDM4EPOLBTSHRALDH1A1NR4A1
SCHEMBL1691754 0.82 KDM4E (0.53) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL31397663 0.81 KDM4E (0.51) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL3545416 0.81 KDM4E (0.51) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL9565522 0.81 ALDH1A1 (0.53) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL15012155 0.79 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL15012407 0.79 KDM4E (0.50) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL7936507 0.78 KDM4E (0.57) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL17667387 0.78 KDM4E (0.57) KDM4EPOLBTSHRALDH1A1KMT2A

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
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 KDM4E 3057/4885POLB 467/4885TSHR 4285/4885

“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.