SCHEMBL29633712

SCHEMBL29633712

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.35
BCHE P06276 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
CYP2D6 P10635 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CASP3 P42574 1/20 0.33
GAA P10253 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33

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
SCHEMBL29633682 0.91 ITGB3 (0.38) KDM4ENPC1RAB9AALDH1A1EPHX2
SCHEMBL29634016 0.90 PPARG (0.41) KDM4EALDH1A1BCHEPPARGPPARA
SCHEMBL29633834 0.90 KDM4E (0.33) KDM4ENPC1RAB9AALDH1A1EPHX2
SCHEMBL31369777 0.87 FABP5 (0.39) RAB9AEPHX2CYP2D6
SCHEMBL29634040 0.87 FABP5 (0.39) RAB9AEPHX2CYP2D6
SCHEMBL31688922 0.87 EPHX2 (0.35) KDM4ERAB9AEPHX2ADRB2ADRB1
SCHEMBL31688649 0.87 EPHX2 (0.35) KDM4ERAB9AEPHX2ADRB2ADRB1
SCHEMBL29633789 0.85 FABP5 (0.37) ALDH1A1EPHX2ADRB2ADRB1ADRB3
SCHEMBL21837960 0.84 FABP5 (0.41) EPHX2CASP3
SCHEMBL21837958 0.84 FABP5 (0.41) EPHX2CASP3

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.