Sugi Predict

Sugi Predict / Compounds / SCHEMBL1105636

SCHEMBL1105636

SCHEMBL1105636

CC1=[N+](CCCCCC(=O)O)c2ccc(C)cc2C1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ FABP4 P15090 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL28562582 1.00 KMT2A (0.55) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL2614442 0.99 KMT2A (0.56) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL12791990 0.91 KMT2A (0.61) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL14340364 0.88 TDP1 (0.37) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL13173050 0.88 LMNA (0.40) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL3418484 0.88 LMNA (0.40) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL18715387 0.88 MAPT (0.40) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL16500586 0.88 KMT2A (0.40) KMT2ALMNAMEN1TDP1MAPT
SCHEMBL19063420 0.88 MEN1 (0.40) KMT2ALMNAMEN1TDP1MAPT
Bromide SCHEMBL5458771 0.87 TDP1 (0.36) KMT2ALMNAMEN1TDP1MAPT

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-9841428-B2 Viscosity-sensitive dyes and method SETA BIOMEDICALS, LLC (US) 2017-12-12 — — US disclosed
US-20160091495-A1 VISCOSITY-SENSITIVE DYES AND METHOD SETA BIOMEDICALS, LLC 2016-03-31 — — US disclosed
US-9110069-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2015-08-18 — — US disclosed
US-8729276-B2 Cyanine compound for labeling biomolecule and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-05-20 — — US disclosed
US-20140086844-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2014-03-27 — — US disclosed
US-8552027-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2013-10-08 — — 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-20120095187-A1 NOVEL CYANINE COMPOUND FOR LABELING BIOMOLECULE AND PREPARATION METHOD THEREOF DKC CORPORATION (KR) 2012-04-19 — — 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-20120035346-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2012-02-09 — — US disclosed
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20120095187-A1 NOVEL CYANINE COMPOUND FOR LABELING BIOMOLECULE AND PREPARATION METHOD THEREOF MRPL21, MB, CCNB1 KMT2A 1828/4885LMNA 989/4885MEN1 261/4885
US-20140086844-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS KMT2A 1544/4885LMNA 986/4885MEN1 1189/4885
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS ABCG2, AQP1, AQP3 KMT2A 3963/4885LMNA 2553/4885MEN1 2465/4885
US-20120035346-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS KMT2A 1434/4885LMNA 1037/4885MEN1 1504/4885
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 KMT2A 4684/4885LMNA 198/4885MEN1 4008/4885

“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.