SCHEMBL22311333

SCHEMBL22311333

CCCCOc1ccc(C(=O)N(C)C)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.63
▸ THRA P10827 6/20 0.63
▸ HTT P42858 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ATM Q13315 1/20 0.45

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
SCHEMBL20060965 0.88 THRB (0.50) THRBTHRAHTTKDM4EALDH1A1
SCHEMBL22310588 0.88 THRA (0.49) THRBTHRAHTTKDM4EALDH1A1
SCHEMBL1750089 0.83 THRB (0.60) THRBTHRAHTTRECQL
SCHEMBL8876412 0.83 THRB (0.60) THRBTHRAHTTRECQLKDM4E
SCHEMBL20060900 0.82 THRB (0.46) THRBTHRAHTTRECQLALDH1A1
SCHEMBL20061075 0.81 THRB (0.47) THRBTHRAHTTRECQLALDH1A1
SCHEMBL6305959 0.81 THRB (0.57) THRBTHRAHTTRECQLALDH1A1
SCHEMBL3417202 0.81 THRB (0.64) THRBTHRA
SCHEMBL29492898 0.81 THRB (0.64) THRBTHRA
SCHEMBL27389920 0.81 THRB (0.64) THRBTHRAHTTRECQL

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-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 THRB 192/4885THRA 238/4885HTT 1612/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 THRB 192/4885THRA 238/4885HTT 1612/4885

“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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