SCHEMBL4623780

SCHEMBL4623780

CC(C)CC(C)OCC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.32
AGTR1 P30556 1/20 0.32
MAPK1 P28482 1/20 0.31
DGKA P23743 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
SCHEMBL9413357 0.88 TDP1 (0.35) TDP1
SCHEMBL18489322 0.86 TDP1 (0.39) USP2LMNAKDM4EDUSP3MEN1
SCHEMBL28157696 0.86 TDP1 (0.34) TDP1
SCHEMBL4440314 0.83 LMNA (0.40) USP2LMNAKDM4EDUSP3MEN1
SCHEMBL15023217 0.82 USP2 (0.35) USP2LMNAKDM4EDUSP3MEN1
SCHEMBL3791829 0.82 TSHR (0.35) TSHRTDP1
SCHEMBL6014346 0.81 THRB (0.46) USP2LMNAKDM4EALDH1A1CYP1A2
SCHEMBL22025331 0.80 TDP1 (0.31) TDP1
SCHEMBL3902429 0.79 TDP1 (0.38) USP2LMNAKDM4EDUSP3MEN1
SCHEMBL3899149 0.79 TDP1 (0.38) USP2LMNAKDM4EDUSP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9056313-B2 Catalysts for the production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2015-06-16 US disclosed
US-9000229-B2 Production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2015-04-07 US disclosed
US-20140303404-A1 NICKEL MODIFIED CATALYST FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2014-10-09 US disclosed
US-8785697-B2 Nickel modified catalyst for the production of hydroxy ether hydrocarbons by vapor phase hydrogenolysis of cyclic acetals and ketals EASTMAN CHEMICAL COMPANY (US) 2014-07-22 US disclosed
WO-2012177602-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS 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
WO-2012177484-A1 CATALYSTS 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
US-20120330066-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 US disclosed
US-20120330067-A1 CATALYSTS FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 US disclosed
US-7189687-B2 Softener composition KAO CORPORATION (JP) 2007-03-13 US disclosed
US-20050090423-A1 Softener composition KAO CORPORATION 2005-04-28 US disclosed
EP-1264874-B1 Softener composition KAO CORP (JP) 2005-03-02 EP disclosed
US-6838427-B2 For fabrics, imparts high softening regardless of the state of the rinsing water; specified mole ratio of 2 types of optionally ester or amide-functional tertiary amines or their ammonium salts and a sulfonate or sulfate anionic surfactant KAO CORPORATION (JP) 2005-01-04 US disclosed
US-6770617-B2 (A) A COMPOUND WITH AN AMINO OR A QUATERNARY AMMONIUM GROUP AND A C8-36 HYDROCARBON GROUP; AND (B) A SULFONATE OR SULFATE ANIONIC SURFACTANT HAVING A C14-36 HYDROCARBON GROUP KAO CORPORATION (JP) 2004-08-03 US disclosed
US-20030060389-A1 Softener composition KAO CORPORATION (JP) 2003-03-27 US disclosed
US-20020198129-A1 Softener composition KAO CORPORATION (JP) 2002-12-26 US disclosed
EP-1264874-A1 Softener composition Kao Corporation (JP) 2002-12-11 EP disclosed
EP-1249488-A1 Softener composition Kao Corporation (JP) 2002-10-16 EP disclosed
EP-0624563-A1 Glycerin derivatives and process for producing the same KAO CORPORATION (JP) 1994-11-17 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 (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-20050090423-A1 Softener composition C1R, H1-10, C1S USP2 1749/4885LMNA 1563/4885KDM4E 3357/4885
US-20120330067-A1 CATALYSTS FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS SUV39H2, KAT5, SUV39H1 USP2 1724/4885LMNA 2410/4885KDM4E 63/4885
US-20120330066-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS SUV39H1, HDHD5, SUV39H2 USP2 654/4885LMNA 2309/4885KDM4E 146/4885
US-20140303404-A1 NICKEL MODIFIED CATALYST FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS KAT5, HRH3, KAT8 USP2 1236/4885LMNA 2124/4885KDM4E 238/4885

“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.