SCHEMBL3723919

SCHEMBL3723919

CC(C)C1=C(C(C)C)C(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.36
EEF2K O00418 1/20 0.35
PLK1 P53350 1/20 0.35
PLK2 Q9NYY3 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CDC25B P30305 3/20 0.32
CDC25A P30304 2/20 0.32
IDO1 P14902 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AKT1 P31749 1/20 0.32
SNCA P37840 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PIN1 Q13526 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
NSD1 Q96L73 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL28371005 0.83 EEF2K (0.34) ERBB2EEF2KPLK1PLK2NFKB1
SCHEMBL21871795 0.81 AURKA (0.33) ERBB2CDC25B
SCHEMBL5536618 0.81 AURKA (0.33) ERBB2CDC25B
SCHEMBL3413343 0.70 CDC25A (0.37) CDC25BCDC25APTPN1
SCHEMBL18235045 0.70
SCHEMBL12792912 0.65 EEF2K (0.34) ERBB2EEF2KPLK1PLK2NFKB1
SCHEMBL5590100 0.60 CDC25A (0.32) CDC25BCDC25APTPN1
SCHEMBL12851540 0.60 TOP2A (0.31)
SCHEMBL16201653 0.60 CDC25A (0.32) CDC25BCDC25A
SCHEMBL16201624 0.60 CDC25A (0.32) CDC25BCDC25A

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-10123529-B2 Compounds for protection of cells SULFATEQ B.V. (NL) 2018-11-13 US disclosed
US-20150342174-A1 COMPOUNDS FOR PROTECTION OF CELLS SULFATEQ B.V. (NL) 2015-12-03 US disclosed
US-8519726-B2 Sensor having integrated electrodes and method for detecting analytes in fluids SUN YIZHONG (US) 2013-08-27 US disclosed
US-8449824-B2 Sensor instrument system including method for detecting analytes in fluids SUN YIZHONG (US) 2013-05-28 US disclosed
US-20100188110-A1 Sensor having integrated electrodes and method for detecting analytes in fluids SUN YIZHONG 2010-07-29 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 (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-10123529-B2 Compounds for protection of cells CASP10, BAX, CASP9 ERBB2 3910/4885EEF2K 827/4885PLK1 3703/4885
US-20150342174-A1 COMPOUNDS FOR PROTECTION OF CELLS CASP10, BAX, CASP9 ERBB2 3910/4885EEF2K 827/4885PLK1 3703/4885

“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.