SCHEMBL30451002

SCHEMBL30451002

COc1cccc([C@@](O)(C(=O)N2CCC3(CCC(Oc4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.51
NR1H3 Q13133 4/20 0.51
FFAR4 Q5NUL3 9/20 0.39
PDK2 Q15119 2/20 0.39
CCR3 P51677 2/20 0.37
ABHD6 Q9BV23 2/20 0.36
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
MGLL Q99685 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL20068703 1.00 NR1H2 (0.51) NR1H2NR1H3FFAR4PDK2CCR3
SCHEMBL20060823 1.00 NR1H2 (0.51) NR1H2NR1H3FFAR4PDK2CCR3
SCHEMBL25547094 0.91 FFAR4 (0.41) NR1H2NR1H3FFAR4PDK2CCR3
SCHEMBL30451332 0.89 NR1H2 (0.61) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL22310517 0.89 NR1H2 (0.61) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL25547658 0.89 NR1H2 (0.61) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL20061098 0.87 NR1H2 (0.44) NR1H2NR1H3FFAR4PDK2ABHD6
SCHEMBL22311043 0.87 NR1H2 (0.44) NR1H2NR1H3FFAR4PDK2ABHD6
SCHEMBL22311044 0.87 NR1H2 (0.44) NR1H2NR1H3FFAR4PDK2ABHD6
SCHEMBL30451141 0.87 NR1H2 (0.44) NR1H2NR1H3FFAR4PDK2ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526196-B1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME LLC (US) 2026-03-18 EP disclosed
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 NR1H2 1/4885NR1H3 2/4885FFAR4 94/4885

“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.