SCHEMBL2881402

SCHEMBL2881402

CC(C)(C)N(CCc1ccc(CCO)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP4F2 P78329 4/20 0.42
CYP4A11 Q02928 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL1935310 0.90 MEN1 (0.47) PPARAMEN1KMT2AHTTL3MBTL1
SCHEMBL2882037 0.89 PPARA (0.45) PPARAMEN1KMT2AHTTL3MBTL1
SCHEMBL4147783 0.86 ESRRG (0.49) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1027884 0.86 MEN1 (0.47) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL21247482 0.86 KMT2A (0.63) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL11898599 0.85 MEN1 (0.46) PPARAMEN1KMT2AHTTL3MBTL1
SCHEMBL2575721 0.85 TAAR1 (0.50) PPARAMEN1KMT2AHTTL3MBTL1
SCHEMBL21997106 0.85 KMT2A (0.46) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1845384 0.85 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1935745 0.85 MEN1 (0.46) PPARAMEN1KMT2AHTTL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R PPARA 1244/4885MEN1 375/4885KMT2A 1658/4885

“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.