SCHEMBL29633830

SCHEMBL29633830

COc1ccccc1CC(C(=O)OC(C)(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 4/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
FABP7 O15540 3/20 0.38
FABP3 P05413 2/20 0.38
CACNA1B Q00975 1/20 0.37
TACR1 P25103 1/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL29633916 0.90 FABP5 (0.42) FABP5ITGA4ITGB7FABP7FABP3
SCHEMBL25178777 0.88 FABP5 (0.49) FABP5FABP7FABP3KMT2AMEN1
SCHEMBL29855074 0.88 FABP5 (0.49) FABP5FABP7FABP3KMT2AMEN1
SCHEMBL25179576 0.88 FABP5 (0.49) FABP5FABP7FABP3KMT2AMEN1
SCHEMBL30802525 0.88 FABP5 (0.49) FABP5FABP7FABP3KMT2AMEN1
SCHEMBL29633911 0.87 ADRB2 (0.35) FABP5ITGA4ITGB7FABP7KMT2A
SCHEMBL29633814 0.87 FABP5 (0.41) FABP5FABP7KMT2AALDH1A1
SCHEMBL29633918 0.87 CTSS (0.38) FABP5FABP7KMT2A
SCHEMBL29633833 0.87 FABP5 (0.40) FABP5ITGA4ITGB7KMT2AALDH1A1
SCHEMBL29634017 0.86 KMT2A (0.34) FABP5FABP7KMT2A

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.