SCHEMBL4833459

SCHEMBL4833459

O=CCCc1ccc(OCCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
FFAR1 O14842 3/20 0.41
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3188400 0.84 LMNA (0.51) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4738379 0.84 SMN1; SMN2 (0.46) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11315075 0.81 ALDH1A1 (0.50) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL949911 0.81 FFAR1 (0.62) HPGDFFAR1S1PR1S1PR3
SCHEMBL909957 0.81 LMNA (0.58) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1667124 0.80 NR5A1 (0.53) LMNAALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL8815462 0.80 NR5A1 (0.53) LMNAALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL11307472 0.80 NR5A1 (0.53) LMNAALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL9265046 0.80 NR5A1 (0.53) LMNAALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL11319340 0.80 NR5A1 (0.53) LMNAALDH1A1SMN1; SMN2S1PR1S1PR3

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 LMNA 2902/4885ALDH1A1 269/4885MAPT 4769/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 LMNA 2783/4885ALDH1A1 211/4885MAPT 4362/4885

“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.