SCHEMBL21891743

SCHEMBL21891743

O=C(NCCCCC(NC(=O)Oc1ccccc1)C(=O)OCCOC(=O)C(CCCCNC(=O)Oc1ccccc1)NC(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.57
SIRT2 Q8IXJ6 3/20 0.53
FOLH1 Q04609 1/20 0.46

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
SCHEMBL21891824 0.96 SIRT1 (0.56) SIRT1SIRT2FOLH1
SCHEMBL21802411 0.96 SIRT1 (0.56) SIRT1SIRT2FOLH1
SCHEMBL23130277 0.96 SIRT1 (0.56) SIRT1SIRT2FOLH1
SCHEMBL21891857 0.96 SIRT1 (0.53) SIRT1SIRT2
SCHEMBL24950665 0.95 SIRT1 (0.56) SIRT1SIRT2
SCHEMBL21891843 0.94 SIRT1 (0.55) SIRT1SIRT2
SCHEMBL23515298 0.93 SIRT1 (0.53) SIRT1SIRT2
SCHEMBL21891818 0.92 SIRT1 (0.52) SIRT1SIRT2
SCHEMBL21891784 0.92 SIRT1 (0.52) SIRT1SIRT2
SCHEMBL30409548 0.92 SIRT1 (0.60) SIRT1SIRT2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
WO-2021100131-A1 METHOD FOR PRODUCING ISOCYANATE 旭化成株式会社 2021-05-27 WO 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 (3 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 861/4885FOLH1 1222/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 SIRT1 1448/4885SIRT2 861/4885FOLH1 1222/4885
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, IDH3A, ALKBH3 SIRT1 1909/4885SIRT2 1231/4885FOLH1 1481/4885

“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.