SCHEMBL4828800

SCHEMBL4828800

CC(C)(C)c1ccc(/C=N/OCCCOc2ccc(C(=O)O)c(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNK2 O95069 1/20 0.42
KCNK10 P57789 1/20 0.42
NR1H4 Q96RI1 3/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
ACLY P53396 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
PPARA Q07869 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SERPINE1 P05121 1/20 0.37

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
SCHEMBL4828804 1.00 PLK1 (0.44) PLK1ALDH1A1KCNK2KCNK10NR1H4
SCHEMBL4829116 0.95 CTDSP1 (0.46) PLK1ALDH1A1KCNK2KCNK10CTDSP1
SCHEMBL4829109 0.95 CTDSP1 (0.46) PLK1ALDH1A1KCNK2KCNK10CTDSP1
SCHEMBL4825731 0.93 ALDH1A1 (0.44) PLK1ALDH1A1KCNK2KCNK10NR1H4
SCHEMBL4825726 0.93 ALDH1A1 (0.44) PLK1ALDH1A1KCNK2KCNK10NR1H4
SCHEMBL4833302 0.92 PLK1 (0.52) PLK1ALDH1A1KCNK2KCNK10NR1H4
SCHEMBL4833312 0.92 PLK1 (0.52) PLK1ALDH1A1KCNK2KCNK10NR1H4
SCHEMBL4826497 0.90 CTDSP1 (0.50) PLK1ALDH1A1KCNK2KCNK10NR1H4
SCHEMBL4826504 0.90 CTDSP1 (0.50) PLK1ALDH1A1KCNK2KCNK10NR1H4
SCHEMBL4830825 0.90 ACLY (0.53) PLK1ALDH1A1KCNK2KCNK10CTDSP1

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-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US claimed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 US claimed
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 PLK1 3639/4885ALDH1A1 269/4885KCNK2 3034/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 PLK1 4185/4885ALDH1A1 211/4885KCNK2 3548/4885

“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.