SCHEMBL22310579

SCHEMBL22310579

COC(=O)c1ccc(OCCCCC2CCN(C(=O)C(O)(c3cccc(OC)c3)C(F)(F)F)CC2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CACNA1B Q00975 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PAX8 Q06710 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MET P08581 1/20 0.37
▸ GPR119 Q8TDV5 4/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36

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
SCHEMBL30451035 1.00 KMT2A (0.39) KMT2AMEN1CACNA1BHSD11B1CYP2D6
SCHEMBL30451556 0.94 HSD11B1 (0.39) KMT2AMEN1CACNA1BHSD11B1CYP2D6
SCHEMBL22284395 0.94 HSD11B1 (0.39) KMT2AMEN1CACNA1BHSD11B1CYP2D6
SCHEMBL22284397 0.94 HSD11B1 (0.39) KMT2AMEN1CACNA1BHSD11B1CYP2D6
SCHEMBL22284406 0.91 NR1H2 (0.45) CACNA1BHSD11B1CYP2D6GPR119NR1H2
SCHEMBL30451645 0.91 NR1H2 (0.45) CACNA1BHSD11B1CYP2D6GPR119NR1H2
SCHEMBL22310516 0.91 NR1H2 (0.45) CACNA1BHSD11B1CYP2D6GPR119NR1H2
SCHEMBL22284408 0.91 NR1H2 (0.45) CACNA1BHSD11B1CYP2D6GPR119NR1H2
SCHEMBL22311355 0.86 NR1H2 (0.41) KMT2AMEN1CACNA1BCYP2D6GPR119
SCHEMBL22311114 0.86 NR1H2 (0.41) KMT2AMEN1CACNA1BCYP2D6GPR119

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 3 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
US-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-08-06 — — 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 (2 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-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 KMT2A 1588/4885MEN1 4463/4885CACNA1B 3397/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 KMT2A 1588/4885MEN1 4463/4885CACNA1B 3397/4885

“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.

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