SCHEMBL4830948

SCHEMBL4830948

CC(C)(C)c1ccc(/C=N/OCCOc2ccc(C(=O)O)c(OCc3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.43
ALOX5 P09917 5/20 0.43
PTGES O14684 3/20 0.43
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
PPARA Q07869 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4830955 1.00 PSEN1 (0.43) PSEN1ALOX5PTGESNR4A2RXRA
SCHEMBL4831034 0.89 ALDH1A1 (0.42) NR4A2RXRARXRBPPARALMNA
SCHEMBL4831043 0.89 ALDH1A1 (0.42) NR4A2RXRARXRBPPARALMNA
SCHEMBL4829019 0.84 ALDH1A1 (0.43) NR4A2RXRARXRBSPHK2SPHK1
SCHEMBL4829025 0.84 ALDH1A1 (0.43) NR4A2RXRARXRBSPHK2SPHK1
SCHEMBL4826380 0.83 XDH (0.46) SPHK2SPHK1LMNARECQLRAB9A
SCHEMBL4826388 0.83 XDH (0.46) SPHK2SPHK1LMNARECQLRAB9A
SCHEMBL4831149 0.83 MAPT (0.46) NR4A2SPHK2SPHK1NR4A1NR4A3
SCHEMBL4831156 0.83 MAPT (0.46) NR4A2SPHK2SPHK1NR4A1NR4A3
SCHEMBL4826234 0.81 MAPT (0.42) LMNARECQLRAB9AMEN1MAPT

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 PSEN1 4118/4885ALOX5 245/4885PTGES 272/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 PSEN1 4289/4885ALOX5 582/4885PTGES 548/4885

“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.