SCHEMBL5403428

SCHEMBL5403428

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
LMNA P02545 2/20 0.48
HPGD P15428 4/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
PPARA Q07869 5/20 0.46
PPARG P37231 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APEX1 P27695 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL5403132 0.97 LMNA (0.48) APPLMNAHPGDTP53GLA
SCHEMBL4921807 0.96 LMNA (0.46) APPLMNAHPGDTP53PPARA
SCHEMBL4931284 0.96 PPARA (0.46) APPLMNAHPGDTP53GLA
SCHEMBL4931927 0.95 LMNA (0.45) APPLMNAHPGDPPARAPPARG
SCHEMBL4928591 0.95 LMNA (0.47) APPLMNAHPGDTP53GLA
SCHEMBL5398262 0.94 ALDH1A1 (0.52) LMNAHPGDTP53GLAPPARA
SCHEMBL5392202 0.94 RAB9A (0.55) APPLMNAHPGDPPARAPPARG
SCHEMBL5406126 0.94 PPARA (0.48) APPLMNAHPGDPPARAPPARG
SCHEMBL5401148 0.94 LMNA (0.46) APPLMNAHPGDTP53PPARA
SCHEMBL4929491 0.93 APEX1 (0.46) APPLMNAHPGDRAB9AAPEX1

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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 (1 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB APP 12/4885LMNA 308/4885HPGD 1078/4885

“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.