SCHEMBL6301520

SCHEMBL6301520

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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 0.99 L3MBTL1 (0.33) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL6889111 0.93 L3MBTL1 (0.34) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL6301516 0.92 L3MBTL1 (0.33) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL3239936 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3242091 0.88 LMNA (0.30) TDP1
SCHEMBL2919493 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3239950 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3242102 0.87 LMNA (0.31) TDP1
SCHEMBL137086 0.87 LMNA (0.31) TDP1
SCHEMBL14655765 0.84

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
US-10174045-B2 Benzopyrylium compounds PIERCE BIOTECHNOLOGY, INC. (US) 2019-01-08 US disclosed
EP-2850078-B1 BENZOPYRYLIUM COMPOUNDS PIERCE BIOTECHNOLOGY INC (US) 2018-04-25 EP 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-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
EP-2850078-A1 BENZOPYRYLIUM COMPOUNDS Pierce Biotechnology, Inc. (US) 2015-03-25 EP disclosed
WO-2014035712-A1 BENZOPYRYLIUM COMPOUNDS PIERCE BIOTECHNOLOGY, INC. (US) 2014-03-06 WO disclosed
US-6924372-B2 Benzopyrylo-polymethine-based hydrophilic markers DYOMICS GMBH (DE) 2005-08-02 US disclosed
US-20040162423-A1 Benzopyrylo-polymethine-based hydrophilic markers DYOMICS GMBH (DE) 2004-08-19 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-20170152267-A9 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885MAPK1 3570/4885
US-20150322078-A1 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885MAPK1 3570/4885
US-10174045-B2 Benzopyrylium compounds PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885MAPK1 3570/4885
US-20180002340-A1 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 L3MBTL1 332/4885ALDH1A1 3082/4885MAPK1 3570/4885
US-20040162423-A1 Benzopyrylo-polymethine-based hydrophilic markers EPCAM, CD68, CD44 L3MBTL1 3381/4885ALDH1A1 1820/4885MAPK1 4026/4885

“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.