SCHEMBL562197

SCHEMBL562197

CC(C)(O)C1CCC(O)(CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
CES2 O00748 1/20 0.35
PTGS1 P23219 3/20 0.34
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12384761 0.84 ESR2 (0.41) ESR2PTGS1KDM4ELMNAALDH1A1
Terpin SCHEMBL12506199 0.75 PTGS1 (0.36) ESR2CES2PTGS1TRPA1KDM4E
Terpin SCHEMBL5377815 0.75 TRPA1 (0.40) ESR2CES2PTGS1TRPA1LMNA
Terpin SCHEMBL9536260 0.75 TRPA1 (0.40) ESR2CES2PTGS1TRPA1LMNA
Terpin SCHEMBL19192 0.75 TRPA1 (0.40) ESR2CES2PTGS1TRPA1LMNA
Terpin SCHEMBL29867 0.73 TRPA1 (0.39) ESR2PTGS1TRPA1LMNAALDH1A1
Terpin SCHEMBL2487459 0.73 TRPA1 (0.39) ESR2PTGS1TRPA1LMNAALDH1A1
SCHEMBL12424446 0.72 ESR2 (0.50) ESR2KDM4E
SCHEMBL3748819 0.72 ESR2 (0.50) ESR2KDM4E
SCHEMBL12385989 0.72 ESR2 (0.50) ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119320309-A Preparation method and application of 2, 4-polysubstituted-1, 3-cyclobutanediol 万华化学集团股份有限公司 2025-01-17 CN claimed
CN-101896474-B Process for the preparation of ketals and acetals Xikaidis Co.,Ltd. (US) 2016-02-03 CN claimed
CN-119320309-A Preparation method and application of 2, 4-polysubstituted-1, 3-cyclobutanediol 万华化学集团股份有限公司 2025-01-17 CN disclosed
US-20240361326-A1 EXOSOMAL LIPIDS AND METABOLITES FOR THE EARLY DETECTION OF HEPATOCELLULAR CARCINOMA BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-31 US disclosed
US-10941092-B2 Hydroformylation process for producing 1,6-hexanediol derivatives BASF SE 2021-03-09 US disclosed
EP-3362426-B1 HYDROFORMYLATION PROCESS FOR PRODUCING 1,6-DISUBSTITUTED HEXANE DERIVATIVES BASF SE (DE) 2020-09-02 EP disclosed
US-20200172458-A1 HYDROFORMYLATION PROCESS FOR PRODUCING 1,6-HEXANEDIOL DERIVATIVES BASF SE (DE) 2020-06-04 US disclosed
US-10647651-B2 Hydroformylation process for producing 1,6-disubstituted hexane derivatives BASF SE (DE) 2020-05-12 US disclosed
EP-3638655-A1 HYDROFORMYLATION PROCESS FOR PRODUCING 1,6-HEXANEDIOL DERIVATIVES BASF SE (DE) 2020-04-22 EP disclosed
CN-110621663-A Hydroformylation process for the preparation of 1, 6-hexanediol derivatives 巴斯夫欧洲公司 2019-12-27 CN disclosed
WO-2018228879-A1 HYDROFORMYLATION PROCESS FOR PRODUCING 1,6-HEXANEDIOL DERIVATIVES BASF SE (DE) 2018-12-20 WO disclosed
US-20110021658-A1 Polyketal Compounds, Synthesis, and Applications SEGETIS, INC. (US) 2011-01-27 US disclosed
US-20100292491-A1 Method of Making Ketals and Acetals SEGETIS, INC. (US) 2010-11-18 US disclosed
CN-101802052-A ketal compounds from polyols and oxocarboxylates SEGETIS INC 2010-08-11 CN disclosed
EP-2209770-A1 METHOD OF MAKING KETALS AND ACETALS Segetis, Inc. (US) 2010-07-28 EP disclosed
EP-2205606-A2 POLYKETAL COMPOUNDS, SYNTHESIS, AND APPLICATIONS Segetis, Inc. (US) 2010-07-14 EP disclosed
EP-2185625-A1 KETAL COMPOUNDS FROM POLYOLS AND OXOCARBOXYLATES Segetis, Inc. (US) 2010-05-19 EP disclosed
WO-2009048874-A1 METHOD OF MAKING KETALS AND ACETALS SEGETIS, INC. (US) 2009-04-16 WO disclosed
WO-2009049041-A2 POLYKETAL COMPOUNDS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-04-16 WO disclosed
WO-2009032905-A1 KETAL COMPOUNDS FROM POLYOLS AND OXOCARBOXYLATES SEGETIS, INC. (US) 2009-03-12 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 (5 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-10941092-B2 Hydroformylation process for producing 1,6-hexanediol derivatives HPD, DHPS, ADH1A ESR2 2957/4885CES2 1088/4885PTGS1 542/4885
US-20110021658-A1 Polyketal Compounds, Synthesis, and Applications TKT, KYAT1, KHK ESR2 3177/4885CES2 658/4885PTGS1 808/4885
US-20200172458-A1 HYDROFORMYLATION PROCESS FOR PRODUCING 1,6-HEXANEDIOL DERIVATIVES HPD, DHPS, ADH1A ESR2 2957/4885CES2 1088/4885PTGS1 542/4885
US-20100292491-A1 Method of Making Ketals and Acetals KAT6B, KAT5, ADH1C ESR2 2201/4885CES2 415/4885PTGS1 1321/4885
US-10647651-B2 Hydroformylation process for producing 1,6-disubstituted hexane derivatives HPD, HDHD5, ADH1A ESR2 3642/4885CES2 1073/4885PTGS1 505/4885

“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.