SCHEMBL4831046

SCHEMBL4831046

COC(=O)c1ccc(OCCO)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 2/20 0.45
THRA P10827 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 2/20 0.43
ABL1 P00519 1/20 0.43
MAOA P21397 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42

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
SCHEMBL5466776 0.88 THRB (0.51) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4830826 0.87 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4843634 0.87 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL21447016 0.84 TDP1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL20503245 0.84 THRB (0.64) THRBTHRAMAOBMAOA
SCHEMBL22264119 0.84 THRB (0.64) THRBTHRAMAOBMAOA
SCHEMBL17142660 0.84 THRA (0.57) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL6001702 0.83 MAPT (0.51) KDM4EALDH1A1LMNAMAPTTHRB
SCHEMBL3319405 0.83 CA12 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2MAOB
SCHEMBL4687865 0.81 SMN1; SMN2 (0.44) KDM4EALDH1A1LMNASMN1; SMN2THRB

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 7 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
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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 (3 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 KDM4E 509/4885ALDH1A1 269/4885LMNA 2902/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 KDM4E 2284/4885ALDH1A1 731/4885LMNA 3721/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 KDM4E 598/4885ALDH1A1 211/4885LMNA 2783/4885

“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.