SCHEMBL29633852

SCHEMBL29633852

COc1ccc(CCC(C(=O)OC(C)(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
STAT3 P40763 1/20 0.38
THRB P10828 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
NR1H3 Q13133 2/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL29633688 0.93 CHRM5 (0.38) FABP5ADRB2ADRB1ADRB3CHRM5
SCHEMBL29633833 0.91 FABP5 (0.40) FABP5KMT2AKDM4EALDH1A1THRB
SCHEMBL29633898 0.90 FABP5 (0.35) FABP5ADRB2ADRB1ADRB3KMT2A
SCHEMBL29633945 0.89 FABP5 (0.35) FABP5ADRB2ADRB1ADRB3KMT2A
SCHEMBL29633916 0.89 FABP5 (0.42) FABP5KMT2AMTNR1AMTNR1B
SCHEMBL29633784 0.89 MDM2 (0.37) FABP5KDM4EALDH1A1
SCHEMBL31369666 0.89 FABP5 (0.44) FABP5ADRB2ADRB1ADRB3KMT2A
SCHEMBL29633873 0.89 FABP5 (0.44) FABP5ADRB2ADRB1ADRB3KMT2A
SCHEMBL22454864 0.88 EPHX2 (0.36) FABP5NR1H3NR1H2
SCHEMBL29633827 0.88 EPHX2 (0.36) FABP5NR1H3NR1H2

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 608/4885ADRB2 2881/4885ADRB1 2567/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR FABP5 608/4885ADRB2 2881/4885ADRB1 2567/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR FABP5 608/4885ADRB2 2881/4885ADRB1 2567/4885

“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.