SCHEMBL6379837

SCHEMBL6379837

COC(=O)c1ccc(-c2ccc(N3CCc4cc(OC)c(OC)cc4C3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.61
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPK1 P28482 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ ABCB1 P08183 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ABCC1 P33527 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ CHKA P35790 1/20 0.46

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
SCHEMBL6373120 0.89 MAOB (0.62) MAOBMEN1KMT2AMAPK1POLB
SCHEMBL6374745 0.84 LIPE (0.55) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL14158144 0.81 ESR1 (0.54) MAOBPOLBALDH1A1
SCHEMBL6376059 0.79 HDAC3 (0.57) MAOBMEN1KMT2AMAPK1POLB
SCHEMBL30109340 0.79 LIPE (0.58) MEN1KMT2AMAPK1LMNAMAPT
SCHEMBL2972419 0.79 NMT1 (0.54) MAOBMEN1KMT2AMAPK1POLB
SCHEMBL19284497 0.78 ALDH1A1 (0.49) MAOBMEN1KMT2APOLBMAPT
SCHEMBL27343430 0.76 MAOB (0.74) MAOBMEN1KMT2AMAPK1LMNA
SCHEMBL17869278 0.76 NPC1 (0.58) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL28138226 0.76 MAOB (0.73) MAOBMEN1KMT2AMAPK1LMNA

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 MAOB 4833/4885MEN1 1139/4885KMT2A 4485/4885

“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.

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