Sugi Predict

Sugi Predict / Compounds / SCHEMBL856999

SCHEMBL856999

SCHEMBL856999

CC1=C(O)C(=O)CC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ GAA P10253 2/20 0.44
▸ MAOA P21397 1/20 0.40
▸ TDP2 O95551 1/20 0.39
▸ SMAD3 P84022 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL5609353 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL11934162 0.75 MAOA (0.43) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL27621718 0.73 MAOA (0.41) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL27742309 0.73 MAOA (0.41) ALDH1A1MAPTKDM4EPOLBGAA
Ammonia Solution, Strong SCHEMBL28279025 0.73 MAOA (0.41) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL28334942 0.73 MAOA (0.41) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL2324941 0.73 — —
SCHEMBL10986390 0.71 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL19079615 0.71 MAOA (0.40) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL10216432 0.71 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115918653-A Cyclohexenone safener and application thereof, and weeding composition and application thereof 东北农业大学 2023-04-07 — — CN claimed
CN-114044735-A Method for synthesizing tetra-acetal 万华化学集团股份有限公司 2022-02-15 — — CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 — — EP claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 — — WO claimed
US-20180265805-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROM MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2018-09-20 — — US claimed
EP-3350306-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROM MICROCAPSULES Henkel AG & Co. KGaA (DE) 2018-07-25 — — EP claimed
US-9981937-B2 Orthoformic acid esters as pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-05-29 — — US claimed
US-20170349565-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2017-12-07 — — US claimed
EP-3233821-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES Henkel AG & Co. KGaA (DE) 2017-10-25 — — EP claimed
WO-2017045893-A1 RELEASE OF ODORIFEROUS SUBSTANCES FROM MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2017-03-23 — — WO claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 — — WO claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 — — US claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 — — US claimed
CN-1429192-A Process for production of 2,2,6-trimethylcyclohexane-1.4-dione DEGUSSA (DE) 2003-07-09 — — CN claimed
EP-1284950-A1 PROCESS FOR THE PRODUCTION OF 2,2,6-TRIMETHYLCYCLOHEXANE-1,4-DIONE Degussa AG (DE) 2003-02-26 — — EP claimed
US-20020165414-A1 Process for the production of 2,2,6-trimethylcyclohexane-1, 4-dione KRILL STEFFEN (DE) 2002-11-07 — — US claimed
US-6420609-B2 EPOXIDATION OF ISOPHORONE WITH PERCARBOXYLIC ACID DEGUSSA AG (DE) 2002-07-16 — — US claimed
US-20020010305-A1 Process for the production of 2,2,6-trimethylcyclohexane-1,4-dione DEGUSSA AG (DE) 2002-01-24 — — US claimed
WO-2001087811-A1 PROCESS FOR THE PRODUCTION OF 2,2,6-TRIMETHYLCYCLOHEXANE-1,4-DIONE DEGUSSA AG (DE) 2001-11-22 — — WO claimed
US-3989857-A Flavoring phenol or phenol derivative containing food or feed with cycloaliphatic derivatives FIRMENICH S.A. (CH) 1976-11-02 — — US 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 (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-20170349565-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES FAAH, NISCH, ELOVL6 ALDH1A1 95/4885MAPT 2579/4885KDM4E 2361/4885
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS ALDH1A1 44/4885MAPT 815/4885KDM4E 94/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 ALDH1A1 57/4885MAPT 1453/4885KDM4E 79/4885
US-20020165414-A1 Process for the production of 2,2,6-trimethylcyclohexane-1, 4-dione HPD, OXER1, DHPS ALDH1A1 869/4885MAPT 3735/4885KDM4E 1957/4885

“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.