SCHEMBL20094562

SCHEMBL20094562

CC(=O)OC12C=CC(OC(C)=O)(CC1)C1C(=O)OC(=O)C12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22477364 0.81 — —
SCHEMBL20094491 0.77 GAA (0.31) GAA
SCHEMBL20365082 0.67 MEN1 (0.31) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL12302971 0.66 NPSR1 (0.34) NPSR1
SCHEMBL5864436 0.64 POLB (0.34) —
SCHEMBL9582378 0.60 — —
SCHEMBL1333560 0.60 — —
SCHEMBL1439655 0.60 — —
SCHEMBL20094489 0.60 ALOX15 (0.33) ALDH1A1
SCHEMBL5864431 0.59 — —

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433181-B Synthesis of bicyclo [2.2.2] octane derivatives 伊士曼化工公司 2023-08-04 — — CN disclosed
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives EASTMAN CHEMICAL COMPANY (US) 2022-12-06 — — US disclosed
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives EASTMAN CHEMICAL COMPANY (US) 2022-12-06 — — US disclosed
US-20200270191-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2020-08-27 — — US disclosed
US-10633315-B2 Synthesis of bicyclo[2.2.2]octanes EASTMAN CHEMICAL COMPANY (US) 2020-04-28 — — US disclosed
US-20200039906-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANES EASTMAN CHEMICAL COMPANY (US) 2020-02-06 — — US disclosed
WO-2019075004-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES EASTMAN CHEMICAL COMPANY (US) 2019-04-18 — — WO disclosed
WO-2018075301-A1 SYNTHESIS OF BICYCLO(2.2.2)OCTANES EASTMAN CHEMICAL COMPANY (US) 2018-04-26 — — WO 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 (4 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-20200039906-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANES PPOX, ODC1, AOC2 CYP19A1 317/4885GAA 4340/4885MEN1 3235/4885
US-10633315-B2 Synthesis of bicyclo[2.2.2]octanes PPOX, ODC1, AOC2 CYP19A1 317/4885GAA 4340/4885MEN1 3235/4885
US-20200270191-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANE DERIVATIVES SCO2, AOC2, ODC1 CYP19A1 298/4885GAA 3689/4885MEN1 3966/4885
US-11518726-B2 Synthesis of bicyclo[2.2.2]octane derivatives SCO2, AOC2, ODC1 CYP19A1 298/4885GAA 3689/4885MEN1 3966/4885

“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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