SCHEMBL21891789

SCHEMBL21891789

CCC(NC(=O)Oc1ccccc1)OC(=O)C(CCCCNC(=O)Oc1ccccc1)NC(=O)OO

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.51
SIRT2 Q8IXJ6 4/20 0.50
CYP1A2 P05177 1/20 0.42
SIRT3 Q9NTG7 1/20 0.41

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
SCHEMBL21891736 0.96 SIRT1 (0.54) SIRT1SIRT2CYP1A2SIRT3
SCHEMBL21891738 0.93 SIRT1 (0.50) SIRT1SIRT2CYP1A2
SCHEMBL23766644 0.89 SIRT1 (0.48) SIRT1SIRT2
SCHEMBL21891786 0.88 SIRT1 (0.53) SIRT1SIRT2
SCHEMBL21892106 0.83 SIRT1 (0.43) SIRT1SIRT2CYP1A2
SCHEMBL21891833 0.83 SIRT1 (0.56) SIRT1SIRT2
SCHEMBL21891815 0.82 SIRT1 (0.58) SIRT1SIRT2
SCHEMBL21802410 0.82 SIRT1 (0.60) SIRT1SIRT2SIRT3
SCHEMBL30409548 0.82 SIRT1 (0.60) SIRT1SIRT2
SCHEMBL23766656 0.81 SIRT1 (0.54) SIRT1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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 (2 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 SIRT1 1448/4885SIRT2 861/4885CYP1A2 184/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 SIRT1 1448/4885SIRT2 861/4885CYP1A2 184/4885

“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.