SCHEMBL21876321

SCHEMBL21876321

C=CCCC(=O)N(C)C(COC(c1ccccc1-c1ccc(OC)cc1)c1ccccc1-c1ccc(OC)cc1)C(=O)OCC#N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL21876320 0.87 POLB (0.37) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL21876310 0.87 MMP2 (0.37) MAPTTDP1LMNAKDM4EMEN1
SCHEMBL21837994 0.80 TSHR (0.35) TDP1LMNAKDM4EALDH1A1HPGD
SCHEMBL21837995 0.80 TSHR (0.35) TDP1LMNAKDM4EALDH1A1HPGD
SCHEMBL21837928 0.74 FAAH (0.37) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL21837931 0.74 FAAH (0.37) MAPTALDH1A1HTTNPSR1HPGD
SCHEMBL21876308 0.73 POLB (0.42) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL21838093 0.72 LMNA (0.35) MAPTTDP1LMNAKDM4EMEN1
SCHEMBL15083400 0.72 — —
SCHEMBL16289236 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — 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 (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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 MAPT 3433/4885TDP1 4056/4885LMNA 4187/4885

“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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