SCHEMBL919097

SCHEMBL919097

CCN(CC)Cc1cc(/C=N\CC/N=C\c2cc(CN(CC)CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL12904890 1.00 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL919098 1.00 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL17546737 0.84 HSPA5 (0.53) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL12904884 0.82 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL4821251 0.81 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1KDM4EHTT
Hydrochloric Acid SCHEMBL918378 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL917447 0.80 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL917448 0.80 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1KDM4EHTT
Hydrochloric Acid SCHEMBL8843636 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL11279542 0.78 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1KDM4EHTT

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 4 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
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
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-01-20 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 (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-20130317237-A1 SYNTEHSIS OF CYCLIC CARBONATES CA12, SUCLA2, LMNA ALDH1A1 3080/4885MAPT 4780/4885MAPK1 3960/4885
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES NR3C2, NR2C2, NR3C1 ALDH1A1 3200/4885MAPT 4670/4885MAPK1 2261/4885

“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.