SCHEMBL25547658

SCHEMBL25547658

COc1cccc([C@@](O)(C(=O)N2CCC([C@H]3CC[C@@H](Oc4ccc(C(=O)N(C)C)c(Cl)c4)CC3)CC2)C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.61
NR1H3 Q13133 4/20 0.61
PDK2 Q15119 3/20 0.42
CCR3 P51677 3/20 0.38
HRH1 P35367 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
EPHX2 P34913 4/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL30451332 1.00 NR1H2 (0.61) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL22310517 1.00 NR1H2 (0.61) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL30451002 0.89 NR1H2 (0.51) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL20060823 0.89 NR1H2 (0.51) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL20068703 0.89 NR1H2 (0.51) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL18872709 0.87 NR1H2 (0.80) NR1H2NR1H3PDK2MEN1KMT2A
SCHEMBL20538904 0.87 NR1H2 (0.80) NR1H2NR1H3PDK2MEN1KMT2A
SCHEMBL18872696 0.87 NR1H2 (0.80) NR1H2NR1H3PDK2MEN1KMT2A
SCHEMBL20061086 0.86 NR1H2 (0.53) NR1H2NR1H3PDK2CCR3HRH1
SCHEMBL30451551 0.86 NR1H2 (0.53) NR1H2NR1H3PDK2CCR3HRH1

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
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
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 2/4885PDK2 2381/4885

“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.