SCHEMBL21891853

SCHEMBL21891853

CNCCOC(=O)C(CCC(=O)OCCNC(=O)Oc1ccccc1)NC(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.41
CYP1A2 P05177 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.41
FAAH O00519 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KCNA5 P22460 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL21891750 0.94 SIRT1 (0.43) SIRT1CYP1A2SIRT2FAAHNPC1
SCHEMBL21891795 0.83 FAAH (0.43) SIRT1CYP1A2FAAHNPC1RAB9A
SCHEMBL21891818 0.83 SIRT1 (0.52) SIRT1SIRT2FAAH
SCHEMBL21891798 0.82 FAAH (0.56) SIRT1CYP1A2SIRT2FAAHHPGD
SCHEMBL23130277 0.82 SIRT1 (0.56) SIRT1SIRT2FAAH
SCHEMBL21802411 0.82 SIRT1 (0.56) SIRT1SIRT2FAAH
SCHEMBL21891762 0.81 POLB (0.45) SIRT1CYP1A2SIRT2NPC1RAB9A
SCHEMBL23423232 0.81 POLB (0.45) SIRT1CYP1A2SIRT2NPC1RAB9A
SCHEMBL23515282 0.80 FAAH (0.40) SIRT1CYP1A2FAAHNPC1RAB9A
SCHEMBL21891776 0.79 CTSK (0.45) SIRT1CYP1A2NPC1RAB9AGAA

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 1448/4885CYP1A2 184/4885SIRT2 861/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 SIRT1 1448/4885CYP1A2 184/4885SIRT2 861/4885

“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.