SCHEMBL29633981

SCHEMBL29633981

C=CCOc1ccccc1CCC(C(=O)OC(C)(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 1/20 0.34
FABP5 Q01469 2/20 0.33
EPHX2 P34913 1/20 0.31
HTR1A P08908 2/20 0.31
MDM2 Q00987 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP3 P42574 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
LIG1 P18858 1/20 0.30
SLC22A1 O15245 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
FABP7 O15540 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
SCHEMBL29633911 0.91 ADRB2 (0.35) ADRB2ADRB1ADRB3FABP5HTR1A
SCHEMBL29633789 0.90 FABP5 (0.37) ADRB2ADRB1ADRB3FABP5EPHX2
SCHEMBL29633693 0.88 KMT2A (0.36) ADRB2ADRB1ADRB3EPHX2L3MBTL1
SCHEMBL29633916 0.88 FABP5 (0.42) FABP5EPHX2MDM2KMT2AFABP7
SCHEMBL29633834 0.86 KDM4E (0.33) ADRB2ADRB1ADRB3EPHX2L3MBTL1
SCHEMBL22454832 0.83 NPSR1 (0.34) FABP5EPHX2MDM2L3MBTL1CASP3
SCHEMBL22444662 0.83 NPSR1 (0.34) FABP5EPHX2MDM2L3MBTL1CASP3
SCHEMBL22444661 0.83 NPSR1 (0.34) FABP5EPHX2MDM2L3MBTL1CASP3
SCHEMBL29633785 0.83 NPSR1 (0.34) FABP5EPHX2MDM2L3MBTL1CASP3
SCHEMBL29633952 0.83 KMT2A (0.35) FABP5EPHX2MDM2ALDH1A1KMT2A

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 ADRB2 2881/4885ADRB1 2567/4885ADRB3 1853/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ADRB2 2881/4885ADRB1 2567/4885ADRB3 1853/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ADRB2 2881/4885ADRB1 2567/4885ADRB3 1853/4885

“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.