SCHEMBL6375309

SCHEMBL6375309

CCOCCOc1ccc(-c2ccc(C(=O)NN)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.56
THRA P10827 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PLK1 P53350 2/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL14161000 0.95 CA1 (0.57) RARBTHRACA1CA2PLK1
SCHEMBL6375604 0.86 CA1 (0.62) RARBCA1CA2PLK1MAPT
SCHEMBL6538458 0.86 PLK1 (0.69) RARBCA1CA2PLK1MAPT
SCHEMBL7323928 0.86 RARB (0.63) RARBCA1CA2PLK1HRH3
SCHEMBL19168934 0.86 CA1 (0.59) RARBCA1CA2PLK1MAPT
SCHEMBL18068446 0.84 CA1 (0.66) CA1CA2PLK1MAPTALDH1A1
SCHEMBL7317986 0.84 RARB (0.68) RARBPLK1
SCHEMBL13908659 0.83 PLK1 (0.73) RARBTHRAPLK1MAPTHTT
SCHEMBL17859064 0.83 CA1 (0.56) CA1CA2PLK1MAPTALDH1A1
SCHEMBL7325242 0.82 RARB (0.71) RARBPLK1

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 RARB 4635/4885THRA 3550/4885CA1 2327/4885

“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.