SCHEMBL4831034

SCHEMBL4831034

CC(C)(C)c1ccc(/C=N/OCCOc2ccc(C(=O)O)c(OC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PPARA Q07869 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CYP1A1 P04798 4/20 0.41
CYP1B1 Q16678 4/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.38
RECQL P46063 1/20 0.38
MAOB P27338 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR4A2 P43354 1/20 0.37
RXRA P19793 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
SCHEMBL4831043 1.00 ALDH1A1 (0.42) ALDH1A1PPARACTDSP1CYP1A1CYP1B1
SCHEMBL4829019 0.95 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDLMNARECQL
SCHEMBL4829025 0.95 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDLMNARECQL
SCHEMBL4826234 0.92 MAPT (0.42) ALDH1A1HSD17B10LMNARECQLCA1
SCHEMBL4826227 0.92 MAPT (0.42) ALDH1A1HSD17B10LMNARECQLCA1
SCHEMBL4831149 0.92 MAPT (0.46) ALDH1A1KDM4ELMNARECQLCA1
SCHEMBL4831156 0.92 MAPT (0.46) ALDH1A1KDM4ELMNARECQLCA1
SCHEMBL4830783 0.91 ALDH1A1 (0.41) ALDH1A1PPARACTDSP1CYP1A1CYP1B1
SCHEMBL4830776 0.91 ALDH1A1 (0.41) ALDH1A1PPARACTDSP1CYP1A1CYP1B1
SCHEMBL4830948 0.89 PSEN1 (0.43) PPARAKDM4ELMNARECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US claimed
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 claimed
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 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
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 269/4885PPARA 606/4885CTDSP1 2943/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 ALDH1A1 211/4885PPARA 715/4885CTDSP1 2524/4885

“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.