SCHEMBL21837995

SCHEMBL21837995

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ KIF11 P52732 6/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL21837994 1.00 TSHR (0.35) TSHRKIF11LMNASLC6A1SLC6A11
SCHEMBL21837835 0.87 KIF11 (0.39) TSHRKIF11SLC6A1SLC6A11TDP1
SCHEMBL21837833 0.87 KIF11 (0.39) TSHRKIF11SLC6A1SLC6A11TDP1
SCHEMBL21895930 0.82 KIF11 (0.40) TSHRKIF11SLC6A1SLC6A11KDM4E
SCHEMBL21876321 0.80 MAPT (0.32) TSHRLMNAKDM4EALDH1A1TDP1
SCHEMBL21876320 0.79 POLB (0.37) LMNAKDM4EALDH1A1
SCHEMBL16289236 0.78 — —
SCHEMBL21837931 0.78 FAAH (0.37) ALDH1A1HPGD
SCHEMBL21837928 0.78 FAAH (0.37) ALDH1A1HPGD
SCHEMBL21896469 0.75 FAAH (0.38) —

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 3 patents. 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
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 — — EP disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 — — EP 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 TSHR 1062/4885KIF11 2789/4885LMNA 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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