SCHEMBL178955

SCHEMBL178955

CCOC(OCC)C(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
SOAT1 P35610 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TRPA1 O75762 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 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
SCHEMBL11618533 0.81 ALDH1A1 (0.35) ALDH1A1TDP1FFAR3HSD17B10
SCHEMBL1126846 0.78 ALDH1A1 (0.44) THRBSOAT1LMNAALDH1A1HSD17B10
SCHEMBL11113832 0.78 THRB (0.36) THRBSOAT1LMNAALDH1A1HSD17B10
SCHEMBL29403320 0.78
SCHEMBL6381616 0.78 ALDH1A1 (0.42) THRBLMNAALDH1A1FFAR3
SCHEMBL23165292 0.78 CYP1A2 (0.36) THRBSOAT1LMNAALDH1A1HSD17B10
SCHEMBL22207048 0.77 SOAT1 (0.46) THRBSOAT1LMNAALDH1A1TDP1
SCHEMBL3344718 0.77 THRB (0.40) THRBSOAT1LMNAALDH1A1HSD17B10
SCHEMBL2651657 0.77
SCHEMBL6634064 0.76 LDHA (0.38) THRBLMNAALDH1A1FFAR3HSD17B10

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
CN-114269332-A Compositions and methods relating to tethered ethoxydihydroxybutanone derivatives 芝加哥大学 2022-04-01 CN disclosed
CN-112367988-A Compositions and methods relating to ethoxydihydroxybutanone derivatives 芝加哥大学 2021-02-12 CN disclosed
US-9944645-B2 Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORPORATION (US) 2018-04-17 US disclosed
US-20160326178-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION 2016-11-10 US disclosed
US-8461330-B2 Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORPORATION (US) 2013-06-11 US disclosed
US-8343729-B2 Luciferin luminescent substrate of marine ostracod crustacean and method for production thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-01-01 US disclosed
WO-2012129702-A1 CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS SEMIOSBIO TECHNOLOGIES INC. (CA) 2012-10-04 WO disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
US-7989621-B2 Method for producing substituted imidazo[1,2-A]pyrazines of (s)-1-(3-(2-sec-butyl-6-(1h-indol-3-yl)-3-oxo-3,7-dihydroimadazo[1,2-a]pyrazin-8-yl)propyl)guanidine NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-08-02 US disclosed
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 WO disclosed
US-4147791-A 1-Substituted-1,2,4-triazole fungicidal compositions and methods for combatting fungi that infect or attack plants BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4107159-A Acetal hydrazones of 2-hydrazino-3H-1,4-benzodiazepine THE UPJOHN COMPANY (US) 1978-08-15 US disclosed
US-4086230-A 1,5-Dihydro-7-aryl-as-triazine[4,3,-α][1,4]benzodiazepin-1-ols THE UPJOHN COMPANY (US) 1978-04-25 US disclosed
US-4048318-A 1-Substituted-1,2,4-triazole fungicides BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK THRB 3248/4885SOAT1 1225/4885LMNA 4357/4885
US-20160326178-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 THRB 556/4885SOAT1 4286/4885LMNA 4038/4885

“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.