SCHEMBL25547495

SCHEMBL25547495

COC(=O)c1ccc(OC[C@@H](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
YAP1 P46937 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 1/20 0.41
AEBP2 Q6ZN18 1/20 0.41
EPHX2 P34913 1/20 0.41
TGFBR1 P36897 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL30452097 1.00 GPR119 (0.45) GPR119KDM4EPKMYAP1ALDH1A1
SCHEMBL22284363 1.00 GPR119 (0.45) GPR119KDM4EPKMYAP1ALDH1A1
SCHEMBL22284364 1.00 GPR119 (0.45) GPR119KDM4EPKMYAP1ALDH1A1
SCHEMBL22284447 0.89 GPR119 (0.52) GPR119KDM4EPKMSLC2A1
SCHEMBL30451663 0.89 GPR119 (0.52) GPR119KDM4EPKMSLC2A1
SCHEMBL20068522 0.89 GPR119 (0.52) GPR119KDM4EPKMSLC2A1
SCHEMBL20060901 0.85 GPR119 (0.61) GPR119ALDH1A1
SCHEMBL22284393 0.79 GPR119 (0.51) GPR119SLC2A1
SCHEMBL7399691 0.79 GPR119 (0.53) GPR119ALDH1A1EEDRBBP4SUZ12
SCHEMBL30451665 0.78 NR1H2 (0.40)

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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 GPR119 15/4885KDM4E 1375/4885PKM 2613/4885

“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.