SCHEMBL29633916

SCHEMBL29633916

COc1ccccc1CCC(C(=O)OC(C)(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 2/20 0.42
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
FABP7 O15540 1/20 0.37
FABP3 P05413 1/20 0.37
CACNA1B Q00975 1/20 0.36
TACR1 P25103 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
AOC3 Q16853 1/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MDM2 Q00987 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
SCHEMBL29633830 0.90 FABP5 (0.44) FABP5ITGA4ITGB7FABP7FABP3
SCHEMBL29633852 0.89 FABP5 (0.39) FABP5MTNR1AMTNR1BKMT2A
SCHEMBL29633800 0.88 FABP5 (0.47) FABP5FABP7FABP3MTNR1AMTNR1B
SCHEMBL31370225 0.88 FABP5 (0.47) FABP5FABP7FABP3MTNR1AMTNR1B
SCHEMBL29633981 0.88 ADRB2 (0.34) FABP5FABP7EPHX2KMT2AMDM2
SCHEMBL29633952 0.88 KMT2A (0.35) FABP5FABP7EPHX2KMT2AMEN1
SCHEMBL29633751 0.88 FABP5 (0.40) FABP5FABP7EPHX2KMT2AMDM2
SCHEMBL29633663 0.88 PPIA (0.35) FABP5FABP7EPHX2KMT2AMDM2
SCHEMBL29633761 0.87 FABP5 (0.38) FABP5FABP7EPHX2KMT2AMDM2
SCHEMBL29633864 0.87 EPHX2 (0.34) FABP5FABP7EPHX2KMT2AMDM2

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 FABP5 608/4885ITGA4 4597/4885ITGB7 4579/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR FABP5 608/4885ITGA4 4597/4885ITGB7 4579/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR FABP5 608/4885ITGA4 4597/4885ITGB7 4579/4885

“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.