SCHEMBL1105692

SCHEMBL1105692

Cc1cc[n+](CCCCCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
TSHR P16473 4/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
APAF1 O14727 1/20 0.44
RGS12 O14924 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC11 Q96DB2 4/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
Bromide SCHEMBL3921022 0.98 HTT (0.56) HTTTSHRLMNANFKB1PMP22
SCHEMBL14454728 0.98 HTT (0.55) HTTTSHRLMNANFKB1PMP22
SCHEMBL13464660 0.92 HTT (0.52) HTTTSHRKMT2AMAPK1HDAC11
SCHEMBL13464661 0.84 KMT2A (0.48) HTTTSHRLMNAKMT2AMEN1
SCHEMBL13556906 0.82 MAPT (0.50) HTTTSHRLMNANFKB1PMP22
Sebacic Acid SCHEMBL36102 0.82 TSHR (0.60) TSHRLMNANFKB1PMP22KMT2A
P-Xylene SCHEMBL36101 0.82 TSHR (0.60) TSHRLMNANFKB1PMP22KMT2A
Azelaic Acid SCHEMBL3807504 0.82 TSHR (0.60) TSHRLMNANFKB1PMP22KMT2A
Sebacic Acid SCHEMBL28279615 0.82 TSHR (0.60) TSHRLMNANFKB1PMP22KMT2A
SCHEMBL12533274 0.82 HTT (0.82) HTTLMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846952-B2 Detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. (US) 2014-09-30 US disclosed
US-8759526-B2 Dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes—useful or detection or quantification of desirable target molecules ENZO LIFE SCIENCES, INC. (US) 2014-06-24 US disclosed
US-8574881-B2 Compositions useful for detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130109847-A1 Detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2013-05-02 US disclosed
US-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2013-02-21 US disclosed
US-8153802-B2 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. (US) 2012-04-10 US disclosed
US-20120040430-A1 Compositions useful for detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2012-02-16 US disclosed
US-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-09-09 US disclosed
US-20100041020-A1 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. C/O ENZO BIOCHEM, INC. (US) 2010-02-18 US disclosed
US-7569695-B2 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization ENZO LIFE SCIENCES, INC. (US) 2009-08-04 US disclosed
EP-1318177-B1 Compound, in particular marker-dye, based on polymethines DYOMICS GMBH (DE) 2004-09-22 EP disclosed
EP-1318177-A2 Compound, in particular marker-dye, based on polymethines Dyomics GmbH (DE) 2003-06-11 EP 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-20130045480-A1 Novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes - useful or detection or quantification of desirable target molecules ANXA5, DCLRE1B, ANXA4 HTT 1776/4885TSHR 3492/4885LMNA 173/4885
US-20130109847-A1 Detection or quantification of desirable target molecules, novel dyes, composite dyes, and oligonucleotides or polynucleotides comprising such dyes ANXA5, DCLRE1B, POLRMT HTT 2106/4885TSHR 3184/4885LMNA 223/4885
US-20100228008-A1 Dyes linked to target molecules, oligonucleotides or polynucleotides comprising dye molecules, composite dyes and other compositions useful for detecting or quantifying desirable target molecules ANXA5, POLRMT, DCLRE1B HTT 2103/4885TSHR 3163/4885LMNA 198/4885

“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.