SCHEMBL3240699

SCHEMBL3240699

CCCCOC(CC(=O)CC=O)OCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 5/20 0.35
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
PLA2G4B P0C869 1/20 0.32
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
ESR1 P03372 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H2 P55055 1/20 0.31
RNASEL Q05823 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL28013728 0.98 ATM (0.36) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL3244622 0.89
SCHEMBL27648827 0.79
SCHEMBL29128906 0.76 ALDH1A1 (0.36) ATMALDH1A1TSHRHCAR2PLA2G4B
SCHEMBL3244513 0.74 TSHR (0.34) TSHR
SCHEMBL28207421 0.73 TSHR (0.48) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL28014411 0.73 TSHR (0.33) TSHR
SCHEMBL2850575 0.72 TSHR (0.39) ATMALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3244610 0.72
SCHEMBL1879488 0.72 NAAA (0.48) ATMALDH1A1TSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102627621-B Tetrahydropyran-4-one and process for preparing pyran-4-one UBE INDUSTRIES 2015-05-27 CN disclosed
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 ATM 3449/4885ALDH1A1 29/4885TSHR 3339/4885

“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.