SCHEMBL21891736

SCHEMBL21891736

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

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.54
SIRT2 Q8IXJ6 4/20 0.53
CYP1A2 P05177 1/20 0.45
SIRT3 Q9NTG7 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
SCHEMBL21891738 0.97 SIRT1 (0.50) SIRT1SIRT2CYP1A2
SCHEMBL21891789 0.96 SIRT1 (0.51) SIRT1SIRT2CYP1A2SIRT3
SCHEMBL23766644 0.93 SIRT1 (0.48) SIRT1SIRT2
SCHEMBL21892106 0.86 SIRT1 (0.43) SIRT1SIRT2CYP1A2
SCHEMBL21891833 0.86 SIRT1 (0.56) SIRT1SIRT2
SCHEMBL21891815 0.86 SIRT1 (0.58) SIRT1SIRT2
SCHEMBL21802410 0.86 SIRT1 (0.60) SIRT1SIRT2SIRT3
SCHEMBL30409548 0.86 SIRT1 (0.60) SIRT1SIRT2
SCHEMBL23766656 0.84 SIRT1 (0.54) SIRT1SIRT2
SCHEMBL26860226 0.84 SIRT1 (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827586-B2 Method for producing amino acid aminoalkyl ester or inorganic acid salt thereof ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-11-28 US disclosed
US-11827586-B2 Method for producing amino acid aminoalkyl ester or inorganic acid salt thereof ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-11-28 US disclosed
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
US-20210253517-A1 METHOD FOR PRODUCING AMINO ACID AMINOALKYL ESTER OR INORGANIC ACID SALT THEREOF ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-19 US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP 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 (6 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 SIRT1 952/4885SIRT2 1109/4885CYP1A2 502/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 SIRT1 1448/4885SIRT2 861/4885CYP1A2 184/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 SIRT1 952/4885SIRT2 1109/4885CYP1A2 502/4885
US-20210253517-A1 METHOD FOR PRODUCING AMINO ACID AMINOALKYL ESTER OR INORGANIC ACID SALT THEREOF SLC6A15, SLC6A19, ALAD SIRT1 4832/4885SIRT2 4322/4885CYP1A2 2096/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 SIRT1 1448/4885SIRT2 861/4885CYP1A2 184/4885
US-11827586-B2 Method for producing amino acid aminoalkyl ester or inorganic acid salt thereof SLC6A15, SLC6A19, ALAD SIRT1 4832/4885SIRT2 4322/4885CYP1A2 2096/4885

“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.