SCHEMBL4828878

SCHEMBL4828878

COC(=O)c1ccc(OCCCON=Cc2ccc(C(C)(C)C)cc2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.46
TNIK Q9UKE5 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
LTB4R Q15722 3/20 0.42
TRPM2 O94759 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
TRPA1 O75762 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4828886 1.00 TRPV1 (0.46) TRPV1TNIKHDAC1HDAC2LTB4R
SCHEMBL4828867 1.00 TRPV1 (0.46) TRPV1TNIKHDAC1HDAC2LTB4R
SCHEMBL4833179 0.94 TRPM2 (0.48) TRPV1TNIKHDAC1HDAC2LTB4R
SCHEMBL4833183 0.94 TRPM2 (0.48) TRPV1TNIKHDAC1HDAC2LTB4R
SCHEMBL4833501 0.94 TRPM2 (0.48) TRPV1TNIKHDAC1HDAC2LTB4R
SCHEMBL4833876 0.90 ALDH1A1 (0.44) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4833885 0.90 ALDH1A1 (0.44) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4833858 0.84 PLK1 (0.47) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4833874 0.84 PLK1 (0.47) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL4825326 0.82 LTB4R (0.48) LTB4RTRPM2NPC1RAB9ASMN1; SMN2

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 TRPV1 4207/4885TNIK 3344/4885HDAC1 2199/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 TRPV1 4752/4885TNIK 3612/4885HDAC1 2319/4885

“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.