SCHEMBL1608529

SCHEMBL1608529

CCCCCCCCC(O)COc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.53
PLA2G4B P0C869 2/20 0.52
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC2A1 P11166 1/20 0.47
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
NR5A1 Q13285 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL31365390 0.87 S1PR1 (0.56) S1PR1PLA2G4BTDP1KDM4EMAPK1
SCHEMBL2197581 0.84 S1PR1 (0.53) S1PR1PLA2G4BTDP1KDM4EMAPK1
SCHEMBL382120 0.84 PLA2G4B (0.55) S1PR1PLA2G4BKDM4ETSHRADRB2
SCHEMBL6231558 0.84 PLA2G4B (0.55) S1PR1PLA2G4BKDM4ETSHRADRB2
SCHEMBL21990 0.84 PLA2G4B (0.55) S1PR1PLA2G4BKDM4ETSHRADRB2
SCHEMBL9797717 0.84 PLA2G4B (0.55) S1PR1PLA2G4BKDM4ETSHRADRB2
SCHEMBL9797915 0.84 PLA2G4B (0.55) S1PR1PLA2G4BKDM4ETSHRADRB2
SCHEMBL5080243 0.84 PLA2G4B (0.52) S1PR1PLA2G4BTDP1KDM4EMAPK1
SCHEMBL5713089 0.81 S1PR1 (0.50) S1PR1PLA2G4BTDP1KDM4EMAPK1
SCHEMBL6071806 0.81 MAPT (0.69) S1PR1PLA2G4BTSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. 2011-04-07 US disclosed
US-7704667-B2 Dyes and use thereof in imaging members and methods ZINK IMAGING, INC. (US) 2010-04-27 US disclosed
WO-2009097433-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. (US) 2009-08-06 WO disclosed
US-20080187866-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-08-07 US disclosed
US-20070224552-A1 PROCESS FOR THE PREPARATION OF NOVEL DYES FOR USE IN IMAGING MEMBERS ZINK IMAGING, LLC 2007-09-27 US disclosed
US-7220868-B2 Process for the preparation of novel dyes for use in imaging members ZINK IMAGING, LLC (US) 2007-05-22 US disclosed
US-20060234143-A1 Process for the preparation of novel dyes for use in imaging members ZINK IMAGING, LLC 2006-10-19 US disclosed
US-7008759-B2 Dyes and use thereof in imaging members and methods POLAROID CORPORATION (US) 2006-03-07 US disclosed
US-20040191668-A1 Novel dyes and use thereof in imaging members and methods ZINK HOLDINGS LLC 2004-09-30 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-20080187866-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 S1PR1 3619/4885PLA2G4B 2879/4885TDP1 1950/4885
US-20070224552-A1 PROCESS FOR THE PREPARATION OF NOVEL DYES FOR USE IN IMAGING MEMBERS CACYBP, ZKSCAN2, CRYAB S1PR1 3424/4885PLA2G4B 4005/4885TDP1 2352/4885
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 S1PR1 3619/4885PLA2G4B 2879/4885TDP1 1950/4885

“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.