SCHEMBL4828735

SCHEMBL4828735

COC(=O)c1ccc(OCCO/N=C(/C)c2ccc(C(C)(C)C)cc2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 6/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESRRG P62508 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4828743 1.00 MAPK1 (0.42) MAPK1NPC1TP53MAPTCA12
SCHEMBL4826442 0.89 XDH (0.46) MAPK1NPC1MAPTESRRGLMNA
SCHEMBL4826453 0.89 XDH (0.46) MAPK1NPC1MAPTESRRGLMNA
SCHEMBL4830858 0.80 NR1H4 (0.48) MAPK1NPC1LMNAPOLBPPARG
SCHEMBL4830848 0.80 NR1H4 (0.48) MAPK1NPC1LMNAPOLBPPARG
SCHEMBL4833520 0.77 MAOB (0.49) MAPK1NPC1LMNAALDH1A1PPARG
SCHEMBL4833526 0.77 MAOB (0.49) MAPK1NPC1LMNAALDH1A1PPARG
SCHEMBL3900807 0.74 CA12 (0.60) MAPK1NPC1TP53MAPTCA12
SCHEMBL8069493 0.73 XDH (0.56) NPC1MAPTHSD17B10POLBRAB9A
SCHEMBL4825465 0.72 LMNA (0.53) MAPK1NPC1TP53MAPTLMNA

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 MAPK1 3843/4885NPC1 3846/4885TP53 1822/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 MAPK1 3799/4885NPC1 3907/4885TP53 2105/4885

“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.