SCHEMBL25547375

SCHEMBL25547375

CC(=O)/C(C)=C\C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 8/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 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

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
SCHEMBL21001915 0.89 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21039940 0.89 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL17109787 0.88 HPGD (0.50) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL741520 0.87 EPHX1 (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22284199 0.83 HPGD (0.44) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21039941 0.83 HPGD (0.44) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL20060955 0.83 HPGD (0.44) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL21040545 0.83 HPGD (0.44) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL4437414 0.83 HPGD (0.44) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL22284229 0.82 HPGD (0.48) HPGDRECQLEPHX1USP2SMN1; SMN2

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 HPGD 2111/4885RECQL 910/4885EPHX1 363/4885

“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.