SCHEMBL5134550

SCHEMBL5134550

C=CCOC(=O)CC(C)=O.[MgH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
GAA P10253 3/20 0.46
MGAM O43451 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 3/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9513 0.98 TSHR (0.50) TSHRGAAMGAMSIMGAM2
Acetic Acid SCHEMBL28073191 0.96 TSHR (0.46) TSHRGAAMGAMSIMGAM2
Acetone SCHEMBL28861611 0.96 TSHR (0.48) TSHRGAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL28225884 0.96 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL1616122 0.96 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL5702374 0.96 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL2221470 0.96 TSHR (0.48) TSHRGAAMGAMSIMGAM2
Acetic Acid SCHEMBL28081680 0.94 TSHR (0.47) TSHRGAAMGAMSIMGAM2
Isopropyl Alcohol SCHEMBL28650817 0.92 TDP1 (0.47) TSHRGAAMGAMSIMGAM2
SCHEMBL7052633 0.90 TSHR (0.44) TSHRGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255747-B1 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE HOFFMANN LA ROCHE (CH) 2006-10-04 EP claimed
US-6858749-B2 Process for enantioselectively producing the (R)-delta-lactone ROCHE COLORADO CORPORATION (US) 2005-02-22 US claimed
US-20030171602-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one ROCHE COLORADO CORPORATION 2003-09-11 US claimed
US-20030158423-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one ROCHE COLORADO CORPORATION (US) 2003-08-21 US claimed
US-20030158422-A1 Process for enantioselectively producing the (R)-delta-lactone ROCHE COLORADO CORPORATION 2003-08-21 US claimed
JP-2003521546-A 2003-07-15 JP claimed
EP-1255747-A2 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE F. HOFFMANN-LA ROCHE AG (CH) 2002-11-13 EP claimed
WO-2001057014-A2 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE F. HOFFMANN-LA ROCHE AG (CH) 2001-08-09 WO claimed
CN-112368336-A Resin composition and cured film thereof 东丽株式会社 2021-02-12 CN disclosed
WO-2020045214-A1 RESIN COMPOSITION AND CURED FILM OBTAINED THEREFROM 東レ株式会社 2020-03-05 WO disclosed
EP-1942150-B1 SILOXANE RESIN COMPOSITION AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES (JP) 2018-08-22 EP disclosed
US-9625618-B2 Optical member set and solid-state imaging element using the same FUJIFILM CORPORATION (JP) 2017-04-18 US disclosed
EP-2799913-B1 OPTICAL MEMBER SET AND SOLID-STATE IMAGE SENSOR USING SAME FUJIFILM CORP (JP) 2017-02-01 EP disclosed
EP-2799912-A1 OPTICAL MEMBER SET AND SOLID-STATE IMAGE PICKUP ELEMENT USING SAME FUJI-FILM Corporation (JP) 2014-11-05 EP disclosed
US-20030171602-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one ROCHE COLORADO CORPORATION 2003-09-11 US disclosed
US-20030158422-A1 Process for enantioselectively producing the (R)-delta-lactone ROCHE COLORADO CORPORATION 2003-08-21 US disclosed
US-20030158423-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one ROCHE COLORADO CORPORATION (US) 2003-08-21 US disclosed
US-6545165-B1 Cyclization ROCHE COLORADO CORPORATION 2003-04-08 US disclosed
EP-1255747-A2 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE F. HOFFMANN-LA ROCHE AG (CH) 2002-11-13 EP disclosed
WO-2001057014-A2 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE F. HOFFMANN-LA ROCHE AG (CH) 2001-08-09 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 (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-20030158422-A1 Process for enantioselectively producing the (R)-delta-lactone DCXR, CYP51A1, RIOX2 TSHR 1759/4885GAA 783/4885MGAM 398/4885
US-20030171602-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one DHPS, HACL2, CYP8B1 TSHR 2309/4885GAA 1134/4885MGAM 1870/4885
US-20030158423-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one DHPS, HACL2, CYP8B1 TSHR 2309/4885GAA 1134/4885MGAM 1870/4885

“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.