SCHEMBL5402571

SCHEMBL5402571

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2OC)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HPGD P15428 6/20 0.46
PPARA Q07869 3/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RCE1 Q9Y256 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL5399251 0.97 POLB (0.46) POLBHPGDPPARAPLA2G1BATG4B
SCHEMBL5398706 0.94 POLB (0.53) POLBHPGDPPARAPLA2G1BATG4B
SCHEMBL5398963 0.94 KMT2A (0.48) POLBHPGDPPARALMNATAS1R3
SCHEMBL5403001 0.93 KMT2A (0.51) POLBHPGDPPARALMNAALDH1A1
SCHEMBL5399414 0.93 SMN1; SMN2 (0.47) HPGDPPARAPLA2G1BATG4BLMNA
SCHEMBL5403132 0.93 LMNA (0.48) HPGDPPARALMNAALDH1A1KDM4E
SCHEMBL5409172 0.91 MEN1 (0.44) HPGDPPARAPLA2G1BATG4BLMNA
SCHEMBL5406868 0.91 KMT2A (0.51) PPARALMNAALDH1A1KDM4ETP53
SCHEMBL5401067 0.91 LMNA (0.47) HPGDPPARAPLA2G1BATG4BLMNA
SCHEMBL5397971 0.90 KMT2A (0.48) POLBHPGDPPARALMNAKDM4E

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 527/4885HPGD 1078/4885PPARA 195/4885

“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.