SCHEMBL1964501

SCHEMBL1964501

CC[N+]1(Cc2ccccc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.44
TP53 P04637 1/20 0.41
CYP2D6 P10635 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34

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
SCHEMBL5944660 0.98 CHRNA7 (0.43) CHRNA7TP53CYP2D6CHRM2CHRM4
SCHEMBL8965143 0.98 CHRNA7 (0.43) CHRNA7TP53CYP2D6CHRM2CHRM4
SCHEMBL3686301 0.87 LMNA (0.44) CHRNA7TP53CYP2D6LMNAHTT
Hydrochloric Acid SCHEMBL11775352 0.85 LMNA (0.42) CHRNA7TP53CYP2D6LMNAHTT
SCHEMBL8965651 0.85 HTT (0.42) CHRNA7TP53CYP2D6LMNAHTT
SCHEMBL8056836 0.85 HTT (0.42) CHRNA7TP53CYP2D6LMNAHTT
SCHEMBL5289629 0.84 NPC1 (0.48) CHRNA7TP53CYP2D6CHRM2CHRM4
Hydrochloric Acid SCHEMBL11771900 0.83 HTT (0.41) CHRNA7CYP2D6LMNAHTTHIF1A
SCHEMBL8056810 0.82 CHRNA7 (0.44) CHRNA7TP53CYP2D6LMNAHTT
SCHEMBL16168595 0.82 CHRNA7 (0.41) CHRNA7TP53CYP2D6HIF1ACHRNB4

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
EP-2513028-B1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, USE OF SAID ALIZARIN COMPOUND, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORP (JP) 2018-06-20 EP disclosed
US-8993216-B2 Method of producing a planographic printing plate FUJIFILM CORPORATION (JP) 2015-03-31 US disclosed
US-8741513-B2 Method for preparing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORPORATION (JP) 2014-06-03 US disclosed
US-20130260317-A1 METHOD OF PRODUCING A PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2013-10-03 US disclosed
EP-2513028-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM Corporation (JP) 2012-10-24 EP disclosed
US-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2012-09-27 US disclosed
WO-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 WO disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 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-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR NR2E3, INA, NHERF1 CHRNA7 254/4885TP53 4720/4885CYP2D6 3256/4885

“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.