Sugi Predict

Sugi Predict / Compounds / SCHEMBL942938

SCHEMBL942938

SCHEMBL942938

CC(=O)OC1C=CC(OC(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CHRM2 P08172 5/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 3/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ TSHR P16473 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8354298 1.00 CA12 (0.42) CA12CA9CA1CA2CHRM2
SCHEMBL14000232 0.91 CA12 (0.38) CA12CA9CA1CA2CHRM2
SCHEMBL2541139 0.90 CA12 (0.40) CA12CA9CA1CA2CHRM2
SCHEMBL2541143 0.90 CA12 (0.40) CA12CA9CA1CA2CHRM2
SCHEMBL3216165 0.89 CA12 (0.37) CA12CA9CA1CA2CHRM2
SCHEMBL8350884 0.89 CA12 (0.37) CA12CA9CA1CA2CHRM2
SCHEMBL8353161 0.89 CA12 (0.37) CA12CA9CA1CA2CHRM2
SCHEMBL11414567 0.88 CA12 (0.41) CA12CA9CA1CA2CHRM2
SCHEMBL11414562 0.88 CA12 (0.41) CA12CA9CA1CA2CHRM2
SCHEMBL4713559 0.87 CA12 (0.40) CA12CA9CA1CA2CHRM2

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843846-B Synthesis of bicyclo [2.2.2] octane 伊士曼化工公司 2022-07-05 — — CN disclosed
EP-3529230-B1 SYNTHESIS OF BICYCLO(2.2.2)OCTANES EASTMAN CHEM CO (US) 2020-09-30 — — EP 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
EP-2675785-B1 INDUSTRIAL METHODS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES UBE INDUSTRIES (JP) 2018-04-11 — — EP disclosed
US-9676710-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2017-06-13 — — US disclosed
US-9630919-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2017-04-25 — — US disclosed
US-9630920-B2 Industrial methods for producing arylsulfur pentafluorides UBE INDUSTRIES, LTD. (JP) 2017-04-25 — — US disclosed
US-20160362366-A1 Industrial Methods for Producing Arylsulfur Pentafluorides UBE CORPORATION (JP) 2016-12-15 — — US disclosed
US-20160362365-A1 Industrial Methods for Producing Arylsulfur Pentafluorides UBE CORPORATION (JP) 2016-12-15 — — US disclosed
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2010-02-04 — — US disclosed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 — — US disclosed
US-20090287024-A1 Process for Producing Arylsulfur Pentafluorides IM&T RESEARCH, INC. (US) 2009-11-19 — — US disclosed
CN-101563084-A 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 — — CN disclosed
EP-2094267-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 — — EP disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 — — US disclosed
WO-2008078305-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 — — WO disclosed
WO-2008078305-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 — — WO disclosed
US-3953526-A Synthesis of hydroquinone ATLANTIC RICHFIELD COMPANY (US) 1976-04-27 — — US disclosed
US-3953526-A Synthesis of hydroquinone ATLANTIC RICHFIELD COMPANY (US) 1976-04-27 — — 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 (8 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-20090287024-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA CA12 2357/4885CA9 1397/4885CA1 2632/4885
US-20200039906-A1 SYNTHESIS OF BICYCLO[2.2.2]OCTANES PPOX, ODC1, AOC2 CA12 1181/4885CA9 2930/4885CA1 1711/4885
US-10633315-B2 Synthesis of bicyclo[2.2.2]octanes PPOX, ODC1, AOC2 CA12 1181/4885CA9 2930/4885CA1 1711/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA CA12 2357/4885CA9 1397/4885CA1 2632/4885
US-20160362365-A1 Industrial Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, CYP2F1 CA12 1689/4885CA9 1409/4885CA1 2123/4885
US-20160362366-A1 Industrial Methods for Producing Arylsulfur Pentafluorides PFAS, ARSA, CYP2F1 CA12 1689/4885CA9 1409/4885CA1 2123/4885
US-20100029992-A1 Process for Producing Arylsulfur Pentafluorides PFAS, MPST, ARSA CA12 2357/4885CA9 1397/4885CA1 2632/4885
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 CA12 3188/4885CA9 1333/4885CA1 2360/4885

“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.