SCHEMBL1609478

SCHEMBL1609478

CCCCCCCCOc1ccc([N+](=O)[O-])cc1OCCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.66
CYSLTR2 Q9NS75 1/20 0.57
CYSLTR1 Q9Y271 1/20 0.57
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CNR1 P21554 1/20 0.50
ACHE P22303 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL9167621 1.00 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL17817183 1.00 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL9165752 1.00 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL30292299 1.00 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL9127581 1.00 CYP19A1 (0.66) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL27740868 0.96 MAPT (0.62) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL5171515 0.94 MAPT (0.58) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL29375687 0.91 MAPT (0.60) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL7702894 0.91 MAPT (0.60) CYP19A1CYSLTR2CYSLTR1MAPTLMNA
SCHEMBL4908553 0.89 CYP19A1 (0.61) CYP19A1CYSLTR2CYSLTR1MAPTLMNA

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
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 CYP19A1 4026/4885CYSLTR2 3588/4885CYSLTR1 3026/4885
US-20070224552-A1 PROCESS FOR THE PREPARATION OF NOVEL DYES FOR USE IN IMAGING MEMBERS CACYBP, ZKSCAN2, CRYAB CYP19A1 4069/4885CYSLTR2 4334/4885CYSLTR1 3881/4885
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 CYP19A1 4026/4885CYSLTR2 3588/4885CYSLTR1 3026/4885

“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.