SCHEMBL13311694

SCHEMBL13311694

CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ TLR2 O60603 4/20 0.54
▸ SIRT2 Q8IXJ6 8/20 0.52
▸ SIRT1 Q96EB6 5/20 0.52
▸ SIRT3 Q9NTG7 4/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSS P25774 1/20 0.52
▸ TNF P01375 1/20 0.49

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
SCHEMBL6157861 0.91 HDAC1 (0.61) HDAC1HDAC2TNF
SCHEMBL6159625 0.91 HDAC1 (0.61) HDAC1HDAC2TNF
SCHEMBL6157856 0.91 HDAC1 (0.61) HDAC1HDAC2TNF
SCHEMBL9932972 0.90 SIRT2 (0.61) HDAC1HDAC2TLR2SIRT2SIRT1
SCHEMBL9932973 0.90 SIRT2 (0.61) HDAC1HDAC2TLR2SIRT2SIRT1
SCHEMBL16327875 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2
SCHEMBL10088326 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2
SCHEMBL16181596 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2
SCHEMBL30424446 0.90 HDAC1 (0.60) HDAC1HDAC2TLR2
SCHEMBL13561436 0.89 HDAC1 (0.60) HDAC1HDAC2TNF

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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 — — 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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 HDAC1 4823/4885HDAC2 4873/4885TLR2 302/4885

“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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