SCHEMBL5394231

SCHEMBL5394231

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)Cc2cccc(C)n2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5394173 0.97 POLB (0.47) POLBNPC1ALDH1A1KDM4EF2
SCHEMBL5402354 0.95 NPC1 (0.46) NPC1ALDH1A1KDM4EF2F10
SCHEMBL5403971 0.88 POLB (0.49) POLBALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL5416923 0.88 LTB4R (0.42) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL5403805 0.87 RAB9A (0.44) NPC1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5407116 0.86 ALDH1A1 (0.43) POLBALDH1A1KMT2AMEN1
SCHEMBL5398782 0.86 HCRTR1 (0.42) NPC1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL5392139 0.86 LPAR1 (0.41) LMNAKMT2AMEN1
SCHEMBL5412135 0.85 LPAR1 (0.38) NPC1ALDH1A1KMT2AMEN1
SCHEMBL5406787 0.85 POLB (0.54) POLBALDH1A1KDM4ERAF1MAP2K1

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 527/4885NPC1 740/4885ALDH1A1 1256/4885

“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.