SCHEMBL2882037

SCHEMBL2882037

CC(C)(C)N(CCCCc1ccc(CCO)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CYP4A11 Q02928 4/20 0.40
CYP4F2 P78329 3/20 0.40
SIGMAR1 Q99720 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2881402 0.89 PPARA (0.49) PPARAMEN1KMT2AHTTL3MBTL1
SCHEMBL6341293 0.88 ACHE (0.46) MEN1KMT2AHTTL3MBTL1KCNH2
SCHEMBL6349731 0.84 ALOX5 (0.51) ALDH1A1
SCHEMBL2574637 0.81 MEN1 (0.44) PPARAMEN1KMT2AHTTL3MBTL1
SCHEMBL6288278 0.81 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNATHRA
SCHEMBL1935310 0.79 MEN1 (0.47) PPARAMEN1KMT2AHTTL3MBTL1
SCHEMBL360638 0.77 GPR84 (0.34) MEN1KMT2AHTTL3MBTL1CYP4A11
SCHEMBL15263236 0.76 FFAR1 (0.38) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL11060568 0.76 FFAR1 (0.38) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1027884 0.76 MEN1 (0.47) MEN1KMT2AHTTL3MBTL1KCNH2

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.