SCHEMBL5403971

SCHEMBL5403971

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)Cc2ccccc2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APP P05067 1/20 0.43
LPAR1 Q92633 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL5406787 0.96 POLB (0.54) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5397879 0.94 L3MBTL1 (0.50) MEN1KMT2AALDH1A1L3MBTL1LPAR1
SCHEMBL5394194 0.92 APP (0.48) MEN1KMT2AL3MBTL1APPLPAR1
SCHEMBL5398924 0.91 LPAR1 (0.46) MEN1KMT2AL3MBTL1APPLPAR1
SCHEMBL5403463 0.90 LPAR1 (0.49) L3MBTL1APPLPAR1
SCHEMBL5403994 0.90 LPAR1 (0.50) LPAR1LTB4R2
SCHEMBL5392479 0.89 MEN1 (0.42) POLBMEN1KMT2AL3MBTL1APP
SCHEMBL5402879 0.89 APP (0.53) POLBMEN1KMT2AL3MBTL1APP
SCHEMBL5394231 0.88 POLB (0.44) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5399033 0.88 APP (0.48) POLBMEN1KMT2AL3MBTL1APP

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 POLB 527/4885MEN1 891/4885KMT2A 2451/4885

“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.