SCHEMBL21876310

SCHEMBL21876310

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.37
▸ MMP9 P14780 4/20 0.37
▸ MMP12 P39900 3/20 0.37
▸ PPARA Q07869 3/20 0.35
▸ PPARG P37231 2/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ MMP16 P51512 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL21876321 0.87 MAPT (0.32) MMP2MMP9MMP12TSHRTDP1
SCHEMBL21876308 0.85 POLB (0.42) FFAR1KDM4EALDH1A1MAPTMEN1
SCHEMBL21837833 0.79 KIF11 (0.39) TSHRTDP1MAPK1
SCHEMBL21837835 0.79 KIF11 (0.39) TSHRTDP1MAPK1
SCHEMBL21876320 0.72 POLB (0.37) FFAR1KDM4EALDH1A1MEN1NPC1
SCHEMBL21837406 0.71 FAAH (0.41) PPARAHTTNPSR1
SCHEMBL21837409 0.71 FAAH (0.41) PPARAHTTNPSR1
SCHEMBL21838127 0.68 MEN1 (0.40) TDP1ALDH1A1MEN1LMNATP53
SCHEMBL21838129 0.68 MEN1 (0.40) TDP1ALDH1A1MEN1LMNATP53
SCHEMBL30861812 0.68 MEN1 (0.40) TDP1ALDH1A1MEN1LMNATP53

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 MMP2 953/4885MMP9 1418/4885MMP12 1946/4885

“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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