SCHEMBL29633682

SCHEMBL29633682

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
BCHE P06276 1/20 0.36
EPHX2 P34913 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CD274 Q9NZQ7 2/20 0.34
GAA P10253 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL29633712 0.91 KDM4E (0.37) ITGB3ITGA2BKDM4ENPC1RAB9A
SCHEMBL20876830 0.90 PPARG (0.46) ITGB3ITGA2BKDM4EALDH1A1PPARG
SCHEMBL20876829 0.90 PPARG (0.46) ITGB3ITGA2BKDM4EALDH1A1PPARG
SCHEMBL29633913 0.90 KDM4E (0.34) ITGB3ITGA2BKDM4ENPC1RAB9A
SCHEMBL29633961 0.87 FABP5 (0.40) ITGB3ITGA2BRAB9AEPHX2FABP5
SCHEMBL30510338 0.87 FABP5 (0.40) ITGB3ITGA2BRAB9AEPHX2FABP5
SCHEMBL30767796 0.87 FABP5 (0.40) ITGB3ITGA2BRAB9AEPHX2FABP5
SCHEMBL25354670 0.84 EPHX2 (0.48) ITGB3ITGA2BALDH1A1EPHX2CASP3
SCHEMBL25354672 0.84 EPHX2 (0.48) ITGB3ITGA2BALDH1A1EPHX2CASP3
SCHEMBL25357586 0.84 ITGB3 (0.40) ITGB3ITGA2BPPARGPPARABCHE

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 ITGB3 4722/4885ITGA2B 4737/4885KDM4E 626/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ITGB3 4722/4885ITGA2B 4737/4885KDM4E 626/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ITGB3 4722/4885ITGA2B 4737/4885KDM4E 626/4885

“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.