SCHEMBL4830783

SCHEMBL4830783

CC(C)(C)OC(=O)c1ccc(OCCON=Cc2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
CYP1A1 P04798 4/20 0.39
CYP1B1 Q16678 4/20 0.39
PPARA Q07869 1/20 0.38
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
RXRA P19793 6/20 0.37
NR1H2 P55055 6/20 0.37
NR1H3 Q13133 4/20 0.37
MAOB P27338 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL4830776 1.00 ALDH1A1 (0.41) ALDH1A1CTDSP1CYP1A1CYP1B1PPARA
SCHEMBL4825682 0.96 ALDH1A1 (0.42) ALDH1A1LMNARECQLCA1CA2
SCHEMBL4825687 0.96 ALDH1A1 (0.42) ALDH1A1LMNARECQLCA1CA2
SCHEMBL4825573 0.92 MAPT (0.41) ALDH1A1LMNARECQLCA1CA2
SCHEMBL4825579 0.92 MAPT (0.41) ALDH1A1LMNARECQLCA1CA2
SCHEMBL5693726 0.92 RXRA (0.37) ALDH1A1CTDSP1CYP1A1CYP1B1PPARA
SCHEMBL4828934 0.91 MAPT (0.44) ALDH1A1PPARALMNARECQLCA1
SCHEMBL4828924 0.91 MAPT (0.44) ALDH1A1PPARALMNARECQLCA1
SCHEMBL4831043 0.91 ALDH1A1 (0.42) ALDH1A1CTDSP1CYP1A1CYP1B1PPARA
SCHEMBL4831034 0.91 ALDH1A1 (0.42) ALDH1A1CTDSP1CYP1A1CYP1B1PPARA

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-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO 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 ALDH1A1 269/4885CTDSP1 2943/4885CYP1A1 16/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 ALDH1A1 211/4885CTDSP1 2524/4885CYP1A1 36/4885

“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.