SCHEMBL29633834

SCHEMBL29633834

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.31
BCHE P06276 1/20 0.31
MMP13 P45452 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
PDK2 Q15119 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL29633913 0.92 KDM4E (0.34) KDM4ENPC1RAB9AADRB2ADRB1
SCHEMBL29633693 0.91 KMT2A (0.36) KDM4EADRB2ADRB1ADRB3EPHX2
SCHEMBL29633712 0.90 KDM4E (0.37) KDM4ENPC1RAB9AADRB2ADRB1
SCHEMBL22454864 0.88 EPHX2 (0.36) EPHX2CYP2D6
SCHEMBL29633796 0.88 EPHX2 (0.36) EPHX2CYP2D6
SCHEMBL29633827 0.88 EPHX2 (0.36) EPHX2CYP2D6
SCHEMBL29633981 0.86 ADRB2 (0.34) ADRB2ADRB1ADRB3EPHX2L3MBTL1
SCHEMBL29633761 0.84 FABP5 (0.38) EPHX2MMP13
SCHEMBL29633904 0.84 PPARG (0.40) KDM4EADRB2ADRB1ADRB3L3MBTL1
SCHEMBL29633793 0.84 EPHX2 (0.37) KDM4EEPHX2

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.