SCHEMBL29633913

SCHEMBL29633913

C=CCOc1cccc(CC(C(=O)OC(C)(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
BCHE P06276 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL29633834 0.92 KDM4E (0.33) KDM4ENPC1RAB9AADRB2ADRB1
SCHEMBL29633904 0.91 PPARG (0.40) KDM4EADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29633682 0.90 ITGB3 (0.38) KDM4ENPC1RAB9AADRB2ADRB1
SCHEMBL29633843 0.88 CACNA1B (0.36) RAB9AEPHX2
SCHEMBL29633693 0.84 KMT2A (0.36) KDM4EADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29633911 0.84 ADRB2 (0.35) ADRB2ADRB1ADRB3ALDH1A1L3MBTL1
SCHEMBL29633698 0.84 FABP5 (0.39) ITGB3ITGA2BPPARGPPARA
SCHEMBL29633897 0.83 CTSL (0.39) KDM4EEPHX2
SCHEMBL29633939 0.83 CTSS (0.39) KDM4EALDH1A1EPHX2PPARG
SCHEMBL29633712 0.83 KDM4E (0.37) KDM4ENPC1RAB9AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR KDM4E 626/4885NPC1 3689/4885RAB9A 2585/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR KDM4E 626/4885NPC1 3689/4885RAB9A 2585/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR KDM4E 626/4885NPC1 3689/4885RAB9A 2585/4885

“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.