SCHEMBL9837966

SCHEMBL9837966

CCCC1OCC(C)(C)CO1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL11983845 0.86 ALDH1A1 (0.41) ALDH1A1
SCHEMBL256016 0.84 ALDH1A1 (0.50) ALDH1A1
SCHEMBL20732767 0.82 ALDH1A1 (0.54) ALDH1A1
SCHEMBL11219791 0.82 ALDH1A1 (0.54) ALDH1A1
SCHEMBL1470264 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18529844 0.81
SCHEMBL12132583 0.79
SCHEMBL712301 0.78 EPHX1 (0.32)
SCHEMBL28041651 0.78
SCHEMBL10743427 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388105-B2 Production of hydroxy ether hydrocarbons by liquid phase hydrogenolysis of cyclic acetals or cyclic ketals EASTMAN CHEMICAL COMPANY (US) 2016-07-12 US claimed
US-8969598-B2 Production of cyclic acetals or ketals using liquid-phase acid catalysts EASTMAN CHEMICAL COMPANY (US) 2015-03-03 US claimed
US-8829206-B2 Production of cyclic acetals or ketals using solid acid catalysts EASTMAN CHEMICAL COMPANY (US) 2014-09-09 US claimed
WO-2012177417-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING SOLID ACID CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO claimed
WO-2012177469-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO claimed
WO-2012177485-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING LIQUID-PHASE ACID CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO claimed
US-20120330033-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING LIQUID-PHASE ACID CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 US claimed
US-20120330032-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING SOLID ACID CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 US claimed
US-20120330069-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 US claimed
US-9440944-B2 Production of cyclic acetals or ketals using solid acid catalysts EASTMAN CHEMICAL COMPANY (US) 2016-09-13 US disclosed
US-9394271-B2 Production of cyclic acetals or ketals using liquid-phase acid catalysts EASTMAN CHEMICAL COMPANY (US) 2016-07-19 US disclosed
US-9388105-B2 Production of hydroxy ether hydrocarbons by liquid phase hydrogenolysis of cyclic acetals or cyclic ketals EASTMAN CHEMICAL COMPANY (US) 2016-07-12 US disclosed
US-9382179-B2 Nickel modified catalyst for the production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2016-07-05 US disclosed
US-9315485-B2 Production of cyclic acetals by reactive distillation EASTMAN CHEMICAL COMPANY (US) 2016-04-19 US disclosed
WO-2012177417-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING SOLID ACID CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
WO-2012177591-A1 NICKEL MODIFIED CATALYST FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
EP-0199210-B1 CONVERSION OF 1,3-DIOXANES INTO 4-OXA-ALDEHYDES BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4709097-A CATALYTIC ISOMERIZATION WITH ACIDIC ZEOLITE BASF AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed
EP-0199210-A2 Conversion of 1,3-dioxanes into 4-oxa-aldehydes BASF Aktiengesellschaft (DE) 1986-10-29 EP disclosed
EP-0133881-A1 Aliphatic monoethers of 2,2-dimethylpropane-1,3-diol with C3 to C20 alkoxy groups, with the exception of 3-isopropoxy-2,2-dimethylpropane-1-ol and 3-tert.butoxy-2,2-dimethylpropane-1-ol, process for their production and their use as plasticizer alcohols HÜLS AKTIENGESELLSCHAFT (DE) 1985-03-13 EP 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 (3 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-20120330069-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS CCNE2, CCNH, HRH2 ALDH1A1 2751/4885
US-20120330032-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING SOLID ACID CATALYSTS PKLR, AKR1C4, AKR1C2 ALDH1A1 295/4885
US-20120330033-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING LIQUID-PHASE ACID CATALYSTS PKLR, KHK, PHYKPL ALDH1A1 373/4885

“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.