SCHEMBL1607877

SCHEMBL1607877

O=C1OC2(c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.58
ALDH1A1 P00352 5/20 0.51
RECQL P46063 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
THRB P10828 2/20 0.51
BRCA1 P38398 2/20 0.51
HSD17B10 Q99714 2/20 0.51
BLM P54132 2/20 0.51
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
HIF1A Q16665 1/20 0.51
GLB1 P16278 1/20 0.51
CTRC Q99895 1/20 0.51
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL30887311 0.87 ALDH1A1 (0.63) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL29361906 0.87 ALDH1A1 (0.63) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL134733 0.87 ALDH1A1 (0.63) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL30887310 0.87 ALDH1A1 (0.63) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL5453230 0.86 ALDH1A1 (0.62) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL6405298 0.82 SMAD3 (0.43) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL24305474 0.82 SMAD3 (0.49) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL10716789 0.81 SMAD3 (0.48) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL1463198 0.80 SMAD3 (0.56) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL1607885 0.80 SMAD3 (0.43) SMAD3ALDH1A1RECQLTDP1HPGD

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 8 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-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 (2 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 SMAD3 1914/4885ALDH1A1 3328/4885RECQL 517/4885
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 SMAD3 1914/4885ALDH1A1 3328/4885RECQL 517/4885

“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.