SCHEMBL4829109

SCHEMBL4829109

O=C(Nc1cc(OCCCO/N=C/c2ccc(C(F)(F)F)cc2)ccc1C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
PLK1 P53350 4/20 0.45
ACLY P53396 1/20 0.43
KCNK2 O95069 1/20 0.42
KCNK10 P57789 1/20 0.42
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
PPARA Q07869 1/20 0.40
TRPA1 O75762 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL4829116 1.00 CTDSP1 (0.46) CTDSP1PLK1ACLYKCNK2KCNK10
SCHEMBL4826504 0.95 CTDSP1 (0.50) CTDSP1PLK1KCNK2KCNK10KMT2A
SCHEMBL4826497 0.95 CTDSP1 (0.50) CTDSP1PLK1KCNK2KCNK10KMT2A
SCHEMBL4828800 0.95 PLK1 (0.44) CTDSP1PLK1ACLYKCNK2KCNK10
SCHEMBL4828804 0.95 PLK1 (0.44) CTDSP1PLK1ACLYKCNK2KCNK10
SCHEMBL4830819 0.93 ACLY (0.53) CTDSP1PLK1ACLYKCNK2KCNK10
SCHEMBL4830825 0.93 ACLY (0.53) CTDSP1PLK1ACLYKCNK2KCNK10
SCHEMBL4827028 0.91 CTDSP1 (0.46) CTDSP1PLK1KCNK2KCNK10KMT2A
SCHEMBL4827015 0.91 CTDSP1 (0.46) CTDSP1PLK1KCNK2KCNK10KMT2A
SCHEMBL4830875 0.91 CTDSP1 (0.44) CTDSP1PLK1KCNK2KCNK10RHOC

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 CTDSP1 2943/4885PLK1 3639/4885ACLY 1961/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 CTDSP1 2524/4885PLK1 4185/4885ACLY 1508/4885

“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.