SCHEMBL12533280

SCHEMBL12533280

Cc1cc[n+](CCCC[n+]2ccc(C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.77
BCHE P06276 8/20 0.52
ACHE P22303 8/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
CHKA P35790 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL4403595 0.97 HTT (0.82) HTTBCHEACHEMEN1TP53
SCHEMBL12533274 0.97 HTT (0.82) HTTBCHEACHEMEN1TP53
Iodide SCHEMBL1932275 0.97 HTT (0.74) HTTBCHEACHEMEN1TP53
Bromide SCHEMBL30903821 0.95 HTT (0.78) HTTBCHEACHEMEN1TP53
SCHEMBL18234751 0.94 HTT (0.70) HTTBCHEACHEMEN1TP53
SCHEMBL2872450 0.90 HTT (0.95) HTTACHEMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL9357985 0.88 HTT (0.91) HTTACHEMEN1TP53CYP1A2
SCHEMBL2330291 0.88 HTT (1.00) HTTACHEMEN1TP53CYP1A2
SCHEMBL5305098 0.88 HTT (1.00) HTTACHEMEN1TP53CYP1A2
Miripirium SCHEMBL3477808 0.88 HTT (1.00) HTTACHEMEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932479-B2 Dyes and compositions, and processes for using same in analysis of protein aggregation and other applications ENZO BIOCHEM, INC. (US) 2018-04-03 US disclosed
US-20160280921-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. (US) 2016-09-29 US disclosed
US-9236576-B2 Photoelectric element, process for producing photoelectric element, and photosensitizer PANASONIC CORPORATION (JP) 2016-01-12 US disclosed
US-20150376411-A1 NOVEL DYES AND COMPOSITIONS, AND PROCESSES FOR USING SAME IN ANALYSIS OF PROTEIN AGGREGATION AND OTHER APPLICATIONS ENZO BIOCHEM, INC. (US) 2015-12-31 US disclosed
US-9133343-B2 Dyes and compositions, and processes for using same in analysis of protein aggregation and other applications ENZO BIOCHEM, INC. (US) 2015-09-15 US disclosed
US-8952372-B2 Photoelectric element and method for producing the same PANASONIC CORPORATION (JP) 2015-02-10 US disclosed
US-20140124757-A1 PHOTOELECTRIC ELEMENT AND METHOD FOR PRODUCING THE SAME WASEDA UNIVERSITY (JP) 2014-05-08 US disclosed
US-20130199614-A1 PHOTOELECTRIC ELEMENT, PROCESS FOR PRODUCING PHOTOELECTRIC ELEMENT, AND PHOTOSENSITIZER WASEDA UNIVERSITY (JP) 2013-08-08 US disclosed
US-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. 2013-05-30 US disclosed
US-20110130305-A1 Novel dyes and compositions, and processes for using same in analysis of protein aggregation and other applications ENZO LIFE SCIENCES, INC. 2011-06-02 US disclosed
US-7598360-B2 High density recording media with modified recording layers of the invention provides better photoelectrical performance; high recording sensitivity and high carrier-to-noise ratio; blue-laser high density recording media INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-10-06 US disclosed
US-20070009825-A1 Bisstyryl compound and high density recording media utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-01-11 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-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION CRYAA, CRYAB, HSPH1 HTT 36/4885BCHE 424/4885ACHE 255/4885
US-20110130305-A1 Novel dyes and compositions, and processes for using same in analysis of protein aggregation and other applications APP, CRYAA, CRYAB HTT 30/4885BCHE 898/4885ACHE 679/4885

“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.