SCHEMBL5409603

SCHEMBL5409603

Cc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccc(C)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MLNR O43193 1/20 0.35
CYP3A4 P08684 1/20 0.35
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PLAAT3 P53816 2/20 0.34
PLAAT5 Q96KN8 2/20 0.34
PLAAT2 Q9NWW9 2/20 0.34
PLAAT4 Q9UL19 2/20 0.34
LPAR1 Q92633 3/20 0.34
UTS2R Q9UKP6 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL5408657 0.85 RAB9A (0.42) TDP1MLNRKMT2ALPAR1HDAC1
SCHEMBL5394539 0.84 POLB (0.40) TDP1L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL5409607 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AHDAC1HDAC6
SCHEMBL5395306 0.82 CDK4 (0.47) ALDH1A1
SCHEMBL5409762 0.81 MEN1 (0.37) KMT2ALPAR1
SCHEMBL5398801 0.81 KMT2A (0.54) TDP1L3MBTL1ALDH1A1KMT2ALPAR1
SCHEMBL5414051 0.80 KMT2A (0.46) TDP1L3MBTL1MLNRCYP3A4FFAR1
SCHEMBL5399037 0.80 TRPM8 (0.39) TDP1L3MBTL1MLNRCYP3A4FFAR1
SCHEMBL5406363 0.80 LTB4R (0.37) TDP1L3MBTL1MLNRCYP3A4FFAR1
SCHEMBL5400596 0.79 TRPV1 (0.48) FFAR1ALDH1A1HDAC6

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 TDP1 1939/4885L3MBTL1 1016/4885MLNR 963/4885

“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.