SCHEMBL19075836

SCHEMBL19075836

CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)OCc1ccc(NC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ HIF1A Q16665 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SLC2A1 P11166 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ STAT6 P42226 2/20 0.50
▸ EPAS1 Q99814 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RBBP9 O75884 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ HTR1A P08908 1/20 0.50

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
SCHEMBL19075837 0.93 MEN1 (0.49) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL15744675 0.90 CYP3A4 (0.54) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL14135535 0.89 MEN1 (0.53) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL14135452 0.89 SLC18A2 (0.54) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL15744729 0.89 MEN1 (0.44) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL19084231 0.86 ABCB1 (0.44) MEN1KMT2AHIF1ALMNACYP3A4
SCHEMBL15744736 0.86 SLC18A2 (0.51) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL20873873 0.86 MEN1 (0.61) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL15744728 0.85 MEN1 (0.41) MEN1KMT2AHIF1ASMN1; SMN2LMNA
SCHEMBL26554013 0.82 HTR1A (0.43) MEN1KMT2AHIF1ASMN1; SMN2LMNA

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-20190016716-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same HOWARD UNIVERSITY 2019-01-17 — — US disclosed
US-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same BAKARE OLADAPO (US) 2017-07-06 — — 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-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 MEN1 178/4885KMT2A 506/4885HIF1A 1042/4885
US-20190016716-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 MEN1 178/4885KMT2A 506/4885HIF1A 1042/4885

“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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