SCHEMBL6380498

SCHEMBL6380498

CCOC(=O)c1ccc(N2CCC(OC)(C3CCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.44
POLB P06746 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
HSP90AA1 P07900 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
FDFT1 P37268 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL6132697 0.99 SIRT2 (0.45) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL6132336 0.88 ALDH1A1 (0.51) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL13099125 0.87 ALDH1A1 (0.51) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL13273660 0.83 MAPT (0.49) HPGDMEN1KMT2AALDH1A1NPSR1
SCHEMBL13099171 0.83 USP2 (0.52) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL6379350 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6374849 0.82 HDAC3 (0.44) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL6134128 0.82 MKNK1 (0.47) SIRT2SIRT1FDFT1
SCHEMBL6132402 0.82 ALDH1A1 (0.46) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL6132324 0.81 HDAC3 (0.43) HPGDMEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO 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 (1 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-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 HTT 2995/4885HPGD 2840/4885MEN1 1139/4885

“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.