SCHEMBL14968385

SCHEMBL14968385

c1ccc(NCCCCCNc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.84
MAPT P10636 1/20 0.84
L3MBTL1 Q9Y468 1/20 0.56
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
KCNH3 Q9ULD8 2/20 0.48
PRSS1 P07477 5/20 0.48
F2 P00734 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
TMPRSS6 Q8IU80 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL4643729 1.00 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL4104788 1.00 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL11759173 1.00 ALDH1A1 (0.84) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
Bromide SCHEMBL28355691 0.97 ALDH1A1 (0.80) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL4970157 0.97 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL2065279 0.92 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL18660199 0.91 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL18660177 0.91 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL19018359 0.91 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HDAC3HDAC1
SCHEMBL8628601 0.91 ALDH1A1 (0.77) ALDH1A1MAPTL3MBTL1MAOASIGMAR1

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-3806593-A1 RESIST COMPOSITION FOR PATTERN PRINTING USE, AND METHOD FOR MANUFACTURING CIRCUIT PATTERN USING SAME KANEKA CORPORATION (JP) 2021-04-14 EP disclosed
US-20210103216-A1 RESIST COMPOSITION FOR PATTERN PRINTING, AND PRODUCTION METHOD OF CIRCUIT PATTERNS USING THE SAME KANEKA CORPORATION (JP) 2021-04-08 US disclosed
US-20160222211-A1 Fluorescent Probe for Imaging Lymph Nodes NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2016-08-04 US disclosed
US-9302018-B2 Fluorescent probe for imaging lymph nodes EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-04-05 US disclosed
US-8921124-B2 Pyrazole-based cyanine dye WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-30 US disclosed
US-8663990-B2 Measurement method utilizing internal standard substance WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-04 US disclosed
CN-102216348-B Propylene-hexene random copolymer produced in the presence of metallocene catalyst BOREALIS AG 2013-07-24 CN disclosed
US-20130129631-A1 Fluorescent Probe for Imaging Lymph Nodes NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2013-05-23 US disclosed
CN-102216349-A Propylene-butene random copolymer produced in the presence of metallocene catalyst BOREALIS AG 2011-10-12 CN disclosed
CN-102216348-A Propylene-hexene random copolymer produced in the presence of metallocene catalyst BOREALIS AG 2011-10-12 CN 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 (2 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-20130129631-A1 Fluorescent Probe for Imaging Lymph Nodes PLIN5, LIPA, LY6K ALDH1A1 2279/4885MAPT 4009/4885L3MBTL1 334/4885
US-20160222211-A1 Fluorescent Probe for Imaging Lymph Nodes PLIN5, LIPA, LY6K ALDH1A1 2279/4885MAPT 4009/4885L3MBTL1 334/4885

“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.