SCHEMBL6557553

SCHEMBL6557553

CC1=CC(=O)CC(C)(C)C1O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PTPN2 P17706 2/20 0.31
PTPN1 P18031 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
TP53 P04637 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL14458137 1.00 ALDH1A1 (0.33) ALDH1A1KMT2AMAPTHPGDTSHR
SCHEMBL5606210 1.00 ALDH1A1 (0.33) ALDH1A1KMT2AMAPTHPGDTSHR
SCHEMBL9591636 0.78 KDM4E (0.32) KMT2ALMNAKDM4EGAAMEN1
SCHEMBL9001209 0.77 ALDH1A1 (0.31) ALDH1A1KMT2ATSHRMEN1
SCHEMBL19649525 0.77 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTHPGDTSHR
SCHEMBL14458046 0.77 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTHPGDTSHR
SCHEMBL11177204 0.75 CCNA2 (0.34) ALDH1A1KMT2AMAPTHPGDTSHR
SCHEMBL5605691 0.75 ALDH1A1 (0.32) ALDH1A1KMT2AHIF1ALMNAMEN1
SCHEMBL1713453 0.75 ALDH1A1 (0.33) ALDH1A1KMT2AMAPTHPGDTSHR
SCHEMBL10651665 0.75 ALDH1A1 (0.33) ALDH1A1KMT2AMAPTHPGDTSHR

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 74 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
WO-2020109533-A1 PROCESS FOR SELECTIVE SYNTHESIS OF 4-HYDROXYISOPHORONE AND 4-KETOISOPHORONE BY FUNGAL PEROXYGENASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2020-06-04 WO claimed
EP-3660147-A1 PROCESS FOR SELECTIVE SYNTHESIS OF 4-HYDROXYISOPHORONE AND 4-KETOISOPHORONE BY FUNGAL PEROXYGENASES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-03 EP 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-4898984-A OXIDATION OF BETA-ISOPHORONE IN HYDROGEN PEROXIDE AND FORMIC ACID SOLUTION HUELS AKTIENGESELLSCHAFT (DE) 1990-02-06 US claimed
EP-0330745-A2 Process for the preparation of 3,5,5-trimethyl-4-hydroxy-2-cyclohexen-1-one HÜLS AKTIENGESELLSCHAFT (DE) 1989-09-06 EP 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
US-12618050-B2 Engineered polypeptides that exhibit increased catalytic efficiency for unnatural cofactors and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-05-05 US disclosed
WO-2025224076-A1 SUBSTITUTED ARYLPYRAZINES AND SALTS THEREOF, AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-10-30 WO disclosed
CN-115918653-A Cyclohexenone safener and application thereof, and weeding composition and application thereof 东北农业大学 2023-04-07 CN disclosed
WO-2022127774-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-23 WO disclosed
US-3983885-A AROMATIC COMPOSITIONS FIRMENICH S.A. (CH) 1976-10-05 US disclosed
US-3981311-A Aromatic compositions FIRMENICH S.A. (CH) 1976-09-21 US disclosed
US-3957061-A Aromatic compositions FIRMENICH S.A. (CH) 1976-05-18 US disclosed
US-3937228-A Aromatic compositions FIRMENICH SA (CH) 1976-02-10 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 (2 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-12618050-B2 Engineered polypeptides that exhibit increased catalytic efficiency for unnatural cofactors and uses thereof NNMT, NAPRT, NQO1 ALDH1A1 754/4885KMT2A 359/4885MAPT 4019/4885
US-20020165414-A1 Process for the production of 2,2,6-trimethylcyclohexane-1, 4-dione HPD, OXER1, DHPS ALDH1A1 869/4885KMT2A 3841/4885MAPT 3735/4885

“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.