SCHEMBL917447

SCHEMBL917447

CCN(CC)Cc1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(CN(CC)CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
KDM4E B2RXH2 6/20 0.42
MAPT P10636 6/20 0.42
MAPK1 P28482 5/20 0.42
HTT P42858 5/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 5/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL917448 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL17546730 0.87 HSPA5 (0.46) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL12563169 0.81 L3MBTL1 (0.37) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL919097 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL919098 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL12904890 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAPK1HTT
Acetic Acid SCHEMBL1230109 0.80 HSPA5 (0.39) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL19050607 0.79 L3MBTL1 (0.37) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL12563171 0.78 L3MBTL1 (0.36) ALDH1A1KDM4EMAPTMAPK1HTT
SCHEMBL918599 0.78 L3MBTL1 (0.50) ALDH1A1KDM4EMAPTMAPK1HTT

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-9273024-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-03-01 US disclosed
US-9273024-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-03-01 US disclosed
US-9242955-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-01-26 US disclosed
US-9242955-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-01-26 US disclosed
EP-2257559-B1 SYNTHESIS OF CYCLIC CARBONATES UNIV YORK (GB) 2014-10-15 EP disclosed
US-20130317237-A1 SYNTEHSIS OF CYCLIC CARBONATES UNIVERSITY OF NEW CASTLE UPON TYNE (GB) 2013-11-28 US disclosed
EP-2146977-B1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIV NEWCASTLE (GB) 2012-11-14 EP disclosed
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-01-20 US disclosed
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-01-20 US disclosed
US-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2010-05-27 US disclosed
US-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2010-05-27 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 (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-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES CA2, SCO2, CA7 ALDH1A1 3403/4885KDM4E 906/4885MAPT 2806/4885
US-20130317237-A1 SYNTEHSIS OF CYCLIC CARBONATES CA12, SUCLA2, LMNA ALDH1A1 3080/4885KDM4E 3848/4885MAPT 4780/4885
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES NR3C2, NR2C2, NR3C1 ALDH1A1 3200/4885KDM4E 3807/4885MAPT 4670/4885

“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.