SCHEMBL27055536

SCHEMBL27055536

CCC(C)CCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CCC(C)=O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 9/20 0.49
▸ HDAC3 O15379 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ PSMB11 A5LHX3 1/20 0.43
▸ PSMA7 O14818 1/20 0.43
▸ PSMB1 P20618 1/20 0.43
▸ PSMA1 P25786 1/20 0.43
▸ PSMA2 P25787 1/20 0.43
▸ PSMA3 P25788 1/20 0.43
▸ PSMA4 P25789 1/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ PSMB9 P28065 1/20 0.43
▸ PSMA5 P28066 1/20 0.43
▸ PSMB4 P28070 1/20 0.43
▸ PSMB6 P28072 1/20 0.43
▸ PSMB5 P28074 1/20 0.43

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
SCHEMBL27055602 0.89 OXTR (0.47) OXTRHDAC3HDAC1HDAC2HDAC10
SCHEMBL29465932 0.88 HDAC3 (0.57) OXTRHDAC3HDAC1HDAC2HDAC10
SCHEMBL29465925 0.88 HDAC3 (0.57) OXTRHDAC3HDAC1HDAC2HDAC10
SCHEMBL29866020 0.88 OXTR (0.60) OXTRHDAC3HDAC1HDAC2HDAC10
SCHEMBL29387878 0.88 OXTR (0.60) OXTRHDAC3HDAC1HDAC2HDAC10
SCHEMBL29465933 0.87 HDAC3 (0.57) OXTRHDAC3HDAC1HDAC2HDAC10
Bacillomycin D(C15) SCHEMBL29777429 0.86 PLG (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11
Bacillomycin D(C15) SCHEMBL27055650 0.86 PLG (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30928172 0.83 PLG (0.49) OXTRHDAC3HDAC1HDAC2HDAC10
SCHEMBL21303808 0.83 PLG (0.49) OXTRHDAC3HDAC1HDAC2HDAC10

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-20240026166-A1 COATING OF MATERIALS WITH BIOSURFACTANT COMPOUNDS UNIV STELLENBOSCH (ZA) 2024-01-25 — — 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-20240026166-A1 COATING OF MATERIALS WITH BIOSURFACTANT COMPOUNDS SMURF1, SMURF2, MMP12 OXTR 3233/4885HDAC3 2455/4885HDAC1 2242/4885

“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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