SCHEMBL4825682

SCHEMBL4825682

CC(C)(C)OC(=O)c1ccc(OCCO/N=C/c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 4/20 0.39
RECQL P46063 1/20 0.38
MAPT P10636 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
PTPN1 P18031 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4825687 1.00 ALDH1A1 (0.42) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4825579 0.96 MAPT (0.41) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4825573 0.96 MAPT (0.41) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4830783 0.96 ALDH1A1 (0.41) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4830776 0.96 ALDH1A1 (0.41) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4828934 0.95 MAPT (0.44) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4828924 0.95 MAPT (0.44) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4829025 0.91 ALDH1A1 (0.43) ALDH1A1CA1CA2LMNARECQL
SCHEMBL4829019 0.91 ALDH1A1 (0.43) ALDH1A1CA1CA2LMNARECQL
SCHEMBL5693726 0.87 RXRA (0.37) ALDH1A1KDM4ESPHK2SPHK1

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 269/4885CA1 3384/4885CA2 2562/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 ALDH1A1 211/4885CA1 1951/4885CA2 1888/4885

“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.