SCHEMBL824649

SCHEMBL824649

Cc1ccc2cc(C)[nH]c(=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 3/20 0.52
TYMS P04818 1/20 0.45
CDC25B P30305 1/20 0.45
UBE2I P63279 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
PARP1 P09874 3/20 0.44
DAO P14920 2/20 0.44
DDO Q99489 1/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 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
SCHEMBL824579 0.84 KDM4E (0.63) KDM4EGAAALDH1A1CDC25BUBE2I
SCHEMBL6646013 0.81 SAE1 (0.46) KDM4EGAAALDH1A1TYMSCDC25B
SCHEMBL13118310 0.81 KDM4E (0.59) KDM4EGAAALDH1A1TYMSPARP1
SCHEMBL1719929 0.81 TYMS (0.50) KDM4EGAAALDH1A1TYMSCDC25B
SCHEMBL1719777 0.81 GAA (0.59) KDM4EGAATYMSPARP1DAO
SCHEMBL13118309 0.81 KDM4E (0.59) KDM4EGAAALDH1A1TYMSPARP1
SCHEMBL1719909 0.81 KDM4E (0.59) KDM4EGAATYMSPARP1DAO
SCHEMBL29914786 0.81 KDM4E (0.59) KDM4EGAATYMSPARP1DAO
SCHEMBL7715523 0.78 KDM4E (0.58) KDM4EGAAALDH1A1TYMSCDC25B
SCHEMBL14867343 0.78 HPGD (0.57) KDM4EGAAALDH1A1CDC25BUBE2I

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
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 US disclosed
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 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 (3 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 KDM4E 4124/4885GAA 953/4885ALDH1A1 1909/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 KDM4E 4124/4885GAA 953/4885ALDH1A1 1909/4885
US-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 KDM4E 2949/4885GAA 4558/4885ALDH1A1 2752/4885

“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.