SCHEMBL1608893

SCHEMBL1608893

CCCCCCCCOc1ccc(N)cc1OCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
CASP1 P29466 1/20 0.56
HTT P42858 1/20 0.56
CASP7 P55210 1/20 0.56
ATM Q13315 1/20 0.56
TLR8 Q9NR97 2/20 0.49
CHUK O15111 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKCG P05129 1/20 0.48

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
SCHEMBL3278460 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7045171 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL17817108 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7043129 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7045133 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL9168790 1.00 TSHR (0.57) TSHRMAPTGAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11836521 0.96 GAA (0.61) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL11747860 0.95 GAA (0.60) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7056177 0.92 GAA (0.59) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL7750765 0.92 TSHR (0.50) TSHRMAPTGAAALDH1A1KDM4E

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 TSHR 4572/4885MAPT 423/4885GAA 1970/4885
US-20070224552-A1 PROCESS FOR THE PREPARATION OF NOVEL DYES FOR USE IN IMAGING MEMBERS CACYBP, ZKSCAN2, CRYAB TSHR 4214/4885MAPT 280/4885GAA 1731/4885
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 TSHR 4572/4885MAPT 423/4885GAA 1970/4885

“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.