SCHEMBL19829018

SCHEMBL19829018

CC(C)(C)OC(=O)N1CC(COCc2ccccc2)OC(C)(O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TACR1 P25103 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ STS P08842 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL16643748 1.00 RORC (0.43) RORCJAK2JAK1TACR1GAA
SCHEMBL30987095 0.86 RORC (0.42) RORCJAK2JAK1TACR1GAA
SCHEMBL30987079 0.84 RORC (0.41) RORCJAK2JAK1TACR1GAA
SCHEMBL30987059 0.82 RORC (0.41) RORCJAK2JAK1TACR1GAA
SCHEMBL30987111 0.82 RORC (0.41) RORCJAK2JAK1TACR1GAA
SCHEMBL30987132 0.82 TACR1 (0.40) RORCJAK2JAK1TACR1GAA
SCHEMBL28935330 0.82 TACR1 (0.43) RORCJAK2JAK1TACR1GAA
SCHEMBL29579004 0.82 TACR1 (0.43) RORCJAK2JAK1TACR1GAA
SCHEMBL28935329 0.82 TACR1 (0.43) RORCJAK2JAK1TACR1GAA
SCHEMBL30987126 0.81 TACR1 (0.43) RORCJAK2JAK1TACR1GAA

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-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 — — 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-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 RORC 264/4885JAK2 243/4885JAK1 1545/4885

“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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