SCHEMBL5401148

SCHEMBL5401148

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(C)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
APP P05067 1/20 0.45
RAB9A P51151 1/20 0.44
APEX1 P27695 1/20 0.44
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL5398768 0.97 LMNA (0.46) LMNAAPPRAB9AAPEX1KDM4E
SCHEMBL5399228 0.94 APEX1 (0.50) LMNARAB9AAPEX1KDM4ESMN1; SMN2
SCHEMBL5403428 0.94 APP (0.49) LMNAAPPRAB9AAPEX1KDM4E
SCHEMBL4931284 0.93 PPARA (0.46) LMNAAPPRAB9AAPEX1KDM4E
SCHEMBL5392202 0.92 RAB9A (0.55) LMNAAPPRAB9AAPEX1KDM4E
SCHEMBL5394236 0.92 MEN1 (0.51) LMNAAPPRAB9AAPEX1KDM4E
SCHEMBL4929491 0.92 APEX1 (0.46) LMNAAPPRAB9AAPEX1HPGD
SCHEMBL5403132 0.90 LMNA (0.48) LMNAAPPRAB9AAPEX1KDM4E
SCHEMBL4921807 0.90 LMNA (0.46) LMNAAPPRAB9AAPEX1SMN1; SMN2
SCHEMBL5397415 0.90 PPARA (0.46) LMNARAB9AAPEX1KDM4ESMN1; SMN2

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 LMNA 308/4885APP 12/4885RAB9A 3132/4885

“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.