SCHEMBL23297768

SCHEMBL23297768

[2H]C1([2H])CC(c2cc3c(cnn3C3CCCCO3)cc2C)CC([2H])([2H])N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.38
▸ KRAS P01116 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 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
SCHEMBL18399307 0.92 GPR119 (0.45) RXRARXRBRXRGGPR119MEN1
SCHEMBL21797023 0.83 RXRA (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL18399060 0.83 RXRA (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL21797025 0.83 RXRA (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL18399201 0.83 RXRA (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL28606491 0.83 RXRA (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL22873493 0.83 RXRA (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL18399150 0.83 RXRA (0.37) RXRARXRBRXRGGPR119KRAS
SCHEMBL22723391 0.82 GPR119 (0.44) RXRARXRBRXRGGPR119MEN1
SCHEMBL18399332 0.82 GPR119 (0.44) RXRARXRBRXRGGPR119MEN1

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-20210130339-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-06 — — 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 (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-20210130339-A1 COMPOUNDS LRRK2, PARK7, PINK1 RXRA 4584/4885RXRB 4530/4885RXRG 4371/4885

“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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