SCHEMBL5408530

SCHEMBL5408530

CCOc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc(OC)c2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
PPARA Q07869 2/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
APEX1 P27695 2/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
PPARG P37231 1/20 0.43
GALR3 O60755 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
SCHEMBL5392202 0.97 RAB9A (0.55) RAB9AHPGDKMT2AALDH1A1POLB
SCHEMBL5402258 0.94 RAB9A (0.60) RAB9AHPGDALDH1A1POLBPPARA
SCHEMBL5403132 0.94 LMNA (0.48) RAB9AHPGDALDH1A1PPARALMNA
SCHEMBL5392437 0.93 LMNA (0.46) RAB9AHPGDKMT2APOLBPPARA
SCHEMBL5398768 0.92 LMNA (0.46) RAB9AHPGDKMT2AALDH1A1PPARA
SCHEMBL5402665 0.92 RAB9A (0.61) RAB9AHPGDKMT2AALDH1A1POLB
SCHEMBL5392923 0.92 MEN1 (0.55) RAB9AHPGDKMT2AALDH1A1PPARA
SCHEMBL5397266 0.92 APEX1 (0.46) RAB9AHPGDKMT2ALMNAAPEX1
SCHEMBL5396038 0.90 RAB9A (0.59) RAB9AHPGDKMT2AALDH1A1POLB
SCHEMBL5403428 0.90 APP (0.49) RAB9AHPGDALDH1A1PPARALMNA

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 RAB9A 3132/4885HPGD 1078/4885KMT2A 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.