SCHEMBL1608895

SCHEMBL1608895

CCCCCCCCC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
GAA P10253 2/20 0.60
MAPT P10636 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MGLL Q99685 2/20 0.51
S1PR1 P21453 1/20 0.51
PLA2G4B P0C869 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL7805047 0.94 ALDH1A1 (0.67) ALDH1A1GAAMAPTL3MBTL1CRHBP
SCHEMBL1496684 0.94 ALDH1A1 (0.67) ALDH1A1GAAMAPTL3MBTL1CRHBP
SCHEMBL27846044 0.85 MAPT (0.53) ALDH1A1GAAMAPTL3MBTL1CRHBP
SCHEMBL1496497 0.83 ALDH1A1 (0.70) ALDH1A1GAAMAPTL3MBTL1CRHBP
SCHEMBL15060886 0.83 ALDH1A1 (0.70) ALDH1A1GAAMAPTL3MBTL1CRHBP
SCHEMBL15060972 0.83 ALDH1A1 (0.70) ALDH1A1GAAMAPTL3MBTL1CRHBP
SCHEMBL7270186 0.82 ALDH1A1 (0.68) ALDH1A1GAAMAPTSMN1; SMN2MEN1
SCHEMBL11036094 0.81 ALDH1A1 (0.67) ALDH1A1GAAMAPTL3MBTL1CRHBP
SCHEMBL9421424 0.81 CA1 (0.53) ALDH1A1GAAL3MBTL1SMN1; SMN2S1PR1
SCHEMBL9421428 0.81 CA1 (0.53) ALDH1A1GAAL3MBTL1SMN1; SMN2S1PR1

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
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
WO-2004078875-A2 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS POLAROID CORPORATION (US) 2004-09-16 WO 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 ALDH1A1 3328/4885GAA 1970/4885MAPT 423/4885
US-20070224552-A1 PROCESS FOR THE PREPARATION OF NOVEL DYES FOR USE IN IMAGING MEMBERS CACYBP, ZKSCAN2, CRYAB ALDH1A1 3853/4885GAA 1731/4885MAPT 280/4885
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 ALDH1A1 3328/4885GAA 1970/4885MAPT 423/4885

“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.