SCHEMBL6889111

SCHEMBL6889111

CCOC(=O)CCCC1(C)C(C)=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6889106 0.93 L3MBTL1 (0.33) L3MBTL1ALDH1A1KMT2AMAPK1TDP1
SCHEMBL6301520 0.93 L3MBTL1 (0.33) L3MBTL1ALDH1A1KMT2AMAPK1TDP1
SCHEMBL137087 0.88 PTPN1 (0.30)
SCHEMBL3239947 0.87 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10037957 0.87 S1PR3 (0.32)
SCHEMBL10090479 0.87 ALDH1A1 (0.35) L3MBTL1ALDH1A1KMT2AMAPK1TDP1
SCHEMBL6301516 0.86 L3MBTL1 (0.33) L3MBTL1ALDH1A1KMT2AMAPK1TDP1
SCHEMBL8116380 0.85 PTPN1 (0.33)
SCHEMBL1656937 0.84 ADRB2 (0.33) ALDH1A1MAPK1ADRB2HTR1A
SCHEMBL559885 0.83 ADRB2 (0.33) ALDH1A1ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174045-B2 Benzopyrylium compounds PIERCE BIOTECHNOLOGY, INC. (US) 2019-01-08 US disclosed
US-20180002340-A1 BENZOPYRYLIUM COMPOUNDS PIERCE BIOTECHNOLOGY, INC. 2018-01-04 US disclosed
US-9676787-B2 Benzopyrylium compounds PIERCE BIOTECHNOLOGY, INC. (US) 2017-06-13 US disclosed
US-9676787-B2 Benzopyrylium compounds PIERCE BIOTECHNOLOGY, INC. (US) 2017-06-13 US disclosed
US-20170152267-A9 BENZOPYRYLIUM COMPOUNDS DYOMICS GMBH (DE) 2017-06-01 US disclosed
US-20170152267-A9 BENZOPYRYLIUM COMPOUNDS DYOMICS GMBH (DE) 2017-06-01 US disclosed
US-20150322078-A1 BENZOPYRYLIUM COMPOUNDS DYOMICS GMBH (DE) 2015-11-12 US disclosed
US-20150322078-A1 BENZOPYRYLIUM COMPOUNDS DYOMICS GMBH (DE) 2015-11-12 US disclosed
EP-1428858-B1 Hydrophilic marker dyes based on benzopyrylo-polymethines DYOMICS GMBH (DE) 2013-01-30 EP disclosed
EP-1428858-B1 Hydrophilic marker dyes based on benzopyrylo-polymethines DYOMICS GMBH (DE) 2013-01-30 EP disclosed
EP-1428858-A1 Hydrophilic marker dyes based on benzopyrylo-polymethines Dyomics GmbH (DE) 2004-06-16 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 (4 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-20170152267-A9 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885KMT2A 3196/4885
US-20150322078-A1 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885KMT2A 3196/4885
US-10174045-B2 Benzopyrylium compounds PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885KMT2A 3196/4885
US-20180002340-A1 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885KMT2A 3196/4885

“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.