SCHEMBL2852878

SCHEMBL2852878

c1ccc(-c2cc3cccc4c5cccc6cccc(c(c2-c2ccccc2)c34)c65)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
AHR P35869 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 2/20 0.42
HIF1A Q16665 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41
GPR84 Q9NQS5 2/20 0.40

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
SCHEMBL4886590 0.93 MEN1 (0.45) CYP1A2ERBB2FYNMAOAACHE
Quinoline SCHEMBL28002475 0.86 ALDH1A1 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12470668 0.86 ALDH1A1 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12096597 0.85 ALDH1A1 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4659613 0.84 KDM4E (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL985118 0.82 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28299170 0.82 ENPP1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1061284 0.81 ALDH1A1 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4451069 0.81 CYP1A2 (0.52) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4979724 0.80 ALDH1A1 (0.45) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100000607-A1 All-gaseous deposition of nanocomposite films US ARMY, SECRETARY OF THE ARMY 2010-01-07 US claimed
WO-2008108809-A2 ALL-GASEOUS DEPOSITION OF NANOCOMPOSITE FILMS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-09-12 WO claimed
US-7179508-B2 Conducting polymer films and method of manufacturing the same by surface polymerization using ion-assisted deposition THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-02-20 US claimed
WO-2005000479-A2 IMPROVED CONDUCTING POLYMER FILMS AND METHOD OF MANUFACTURING THE SAME BY SURFACE POLYMERISATION USING ION-ASSISTED DEPOSITION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-01-06 WO claimed
US-20040247796-A1 Conducting polymer films and method of manufacturing the same by surface polymerization using ion-assisted deposition HANLEY LUKE (US) 2004-12-09 US claimed
CN-105568312-B A kind of method that Indirect Electro catalyzes and synthesizes 2 aryl pyrrole compounds 中山大学 2017-11-07 CN disclosed
US-9056822-B2 Method for producing polycyclic aromatic compound substituted by aryl group NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-06-16 US disclosed
US-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-24 US disclosed
EP-2730554-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP National University Corporation Nagoya University (JP) 2014-05-14 EP disclosed
US-20100000607-A1 All-gaseous deposition of nanocomposite films US ARMY, SECRETARY OF THE ARMY 2010-01-07 US disclosed
WO-2008108809-A2 ALL-GASEOUS DEPOSITION OF NANOCOMPOSITE FILMS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-09-12 WO disclosed
US-7179508-B2 Conducting polymer films and method of manufacturing the same by surface polymerization using ion-assisted deposition THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-02-20 US disclosed
WO-2005000479-A2 IMPROVED CONDUCTING POLYMER FILMS AND METHOD OF MANUFACTURING THE SAME BY SURFACE POLYMERISATION USING ION-ASSISTED DEPOSITION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-01-06 WO disclosed
US-20040247796-A1 Conducting polymer films and method of manufacturing the same by surface polymerization using ion-assisted deposition HANLEY LUKE (US) 2004-12-09 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 (1 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-20140206908-A1 METHOD FOR PRODUCING POLYCYCLIC AROMATIC COMPOUND SUBSTITUTED BY ARYL GROUP PAH, DBH, AHR CYP1A2 178/4885ERBB2 2121/4885FYN 4137/4885

“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.