SCHEMBL5194252

SCHEMBL5194252

O=CCC(Cl)(c1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ KIF11 P52732 1/20 0.39
▸ CHRM2 P08172 8/20 0.38
▸ CHRM1 P11229 8/20 0.38
▸ CHRM3 P20309 6/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM5 P08912 2/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 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
SCHEMBL31025938 0.71 KEAP1 (0.48) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL21495109 0.69 KEAP1 (0.47) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL27406395 0.69 TSHR (0.44) TSHRTDP1BLM
SCHEMBL7438264 0.69 TSHR (0.44) TSHRTDP1BLM
SCHEMBL9940816 0.68 KEAP1 (0.55) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL28062010 0.68 KEAP1 (0.54) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL2788657 0.68 KEAP1 (0.59) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL5370794 0.67 HPGD (0.39) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL4081989 0.67 KEAP1 (0.53) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL22257216 0.66 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CHRM3

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
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 — — EP claimed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 — — US claimed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 — — EP claimed

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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES KEAP1 345/4885NFE2L2 187/4885KIF11 3071/4885

“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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