SCHEMBL4829030

SCHEMBL4829030

COC(=O)c1ccc(OCCCO/N=C/c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
TRPV1 Q8NER1 2/20 0.44
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
GCGR P47871 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
ALDH1A1 P00352 3/20 0.39
PLK1 P53350 1/20 0.39
ABL1 P00519 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.38
KCNK2 O95069 1/20 0.38
KCNK10 P57789 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL4829036 1.00 CTDSP1 (0.46) CTDSP1TRPV1KDM4EKMT2AHTT
SCHEMBL4830917 0.95 TRPV1 (0.42) CTDSP1TRPV1KDM4EKMT2AHTT
SCHEMBL4830929 0.95 TRPV1 (0.42) CTDSP1TRPV1KDM4EKMT2AHTT
SCHEMBL4830859 0.92 CTDSP1 (0.44) CTDSP1KDM4EKMT2AHTTCYP1A1
SCHEMBL4830875 0.92 CTDSP1 (0.44) CTDSP1KDM4EKMT2AHTTCYP1A1
SCHEMBL4827015 0.92 CTDSP1 (0.46) CTDSP1TRPV1KDM4EKMT2AHTT
SCHEMBL4827028 0.92 CTDSP1 (0.46) CTDSP1TRPV1KDM4EKMT2AHTT
SCHEMBL4836420 0.91 IGF2BP2 (0.49) CTDSP1KDM4EKMT2AGCGRALDH1A1
SCHEMBL4836430 0.91 IGF2BP2 (0.49) CTDSP1KDM4EKMT2AGCGRALDH1A1
SCHEMBL4825726 0.88 ALDH1A1 (0.44) CTDSP1TRPV1KDM4EKMT2AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2943/4885TRPV1 4207/4885KDM4E 509/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 CTDSP1 2524/4885TRPV1 4752/4885KDM4E 598/4885

“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.