SCHEMBL5369405

SCHEMBL5369405

C=Cc1ccccc1C(=O)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 3/20 0.39
FEN1 P39748 3/20 0.39
CYP3A4 P08684 2/20 0.37
LMNA P02545 5/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PTPN1 P18031 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.34
GSR P00390 1/20 0.34
LIG1 P18858 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6678873 0.84 ERCC5 (0.40) ERCC5FEN1CYP3A4LMNANPC1
SCHEMBL9720642 0.81 MAPT (0.40) CYP3A4ALDH1A1HPGDKMT2AKDM4E
SCHEMBL6342612 0.79 CYP3A4 (0.40) CYP3A4NPC1ALDH1A1CYP1A2HPGD
SCHEMBL6355294 0.79 TSHR (0.46) CYP3A4LMNANPC1ALDH1A1CYP1A2
SCHEMBL29982561 0.79 CYP3A4 (0.42) CYP3A4LMNAALDH1A1CYP1A2MEN1
SCHEMBL24220 0.79 CYP3A4 (0.42) CYP3A4LMNAALDH1A1CYP1A2MEN1
SCHEMBL19971521 0.79 ALDH1A1 (0.46) CYP3A4LMNAALDH1A1CYP1A2HPGD
SCHEMBL7515781 0.78 ALDH1A1 (0.45) CYP3A4LMNAALDH1A1CYP1A2HPGD
SCHEMBL10623096 0.78 PTPN1 (0.50) CYP3A4LMNAALDH1A1CYP1A2HPGD
SCHEMBL28713351 0.78 CYP3A4 (0.39) CYP3A4LMNAALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5202110-A None JP disclosed
US-7279096-B2 Polymer based permeable membrane for removal of ions THE JOHNS HOPKINS UNIVERSITY (US) 2007-10-09 US disclosed
US-7067702-B2 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY (US) 2006-06-27 US disclosed
US-20060069288-A1 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY 2006-03-30 US disclosed
US-20050019302-A1 Polymer based permeable membrane for removal of ions MURRAY GEORGE M (US) 2005-01-27 US disclosed
US-6780323-B2 Polymer based permeable membrane for removal of ions THE JOHNS HOPKINS UNIVERSITY 2004-08-24 US disclosed
US-20030113234-A1 Polymer based permeable membrane for removal of ions JOHNS HOPKINS UNIVERSITY, THE 2003-06-19 US disclosed
WO-2003033575-A1 POLYMER BASED PERMEABLE MEMBRANE FOR REMOVAL OF IONS THE JOHNS HOPKINS UNIVERSITY (US) 2003-04-24 WO disclosed
JP-H05202110-A TRANSPARENT PLASTIC MATERIAL SEIKO EPSON CORP 1993-08-10 JP disclosed
EP-0549808-A1 TRANSPARENT PLASTIC MATERIAL SEIKO EPSON CORPORATION (JP) 1993-07-07 EP 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 (1 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-20060069288-A1 Process for preparing vinyl substituted beta-diketones VRK1, VRK2, DEK ERCC5 3970/4885FEN1 2256/4885CYP3A4 546/4885

“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.