SCHEMBL3239371

SCHEMBL3239371

COC=CC(=O)C=COC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.40
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
F3 P13726 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
TFEB P19484 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
LMNA P02545 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
SCHEMBL28910 0.78
SCHEMBL6833025 0.78
SCHEMBL1023871 0.78
SCHEMBL560844 0.78
SCHEMBL12573995 0.78
SCHEMBL560843 0.78
SCHEMBL1530891 0.75
SCHEMBL37098 0.75
SCHEMBL14081245 0.75
SCHEMBL1530892 0.75

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745649-B2 Processes for preparing tetrahydropyran-4-one and pyran-4-one UBE INDUSTRIES, LTD. (JP) 2010-06-29 US disclosed
US-20070078272-A1 Processes for preparing tetrahydropyran-4-one and pyran-4-one UBE INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
EP-1700853-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRAN-4-ONE AND PYRAN-4-ONE Ube Industries, Ltd. (JP) 2006-09-13 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 (1 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-20070078272-A1 Processes for preparing tetrahydropyran-4-one and pyran-4-one ADH1A, ADH1C, ADH5 NFE2L2 486/4885HCAR2 2909/4885KEAP1 1642/4885

“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.