SCHEMBL4496230

SCHEMBL4496230

CCC(=O)OCC1(COC(=O)CC)COC(C)(COC(=O)CC)OC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.34
NAAA Q02083 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 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
SCHEMBL4502665 0.87 NAAA (0.33) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL28915914 0.83 NAAA (0.35) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL13674849 0.83 ALDH1A1 (0.33) PRKCANAAAALDH1A1
SCHEMBL7091702 0.79 TSHR (0.35) PRKCANAAAALDH1A1CYP1A2HPGD
SCHEMBL17208827 0.77 NAAA (0.36) PRKCANAAAALDH1A1CYP1A2HPGD
SCHEMBL3462896 0.74 TSHR (0.45) PRKCANAAAALDH1A1CYP1A2HPGD
SCHEMBL3463291 0.72 EPHX1 (0.41) PRKCANAAAALDH1A1CYP1A2HPGD
SCHEMBL24062145 0.71 TSHR (0.40) PRKCANAAAALDH1A1CYP1A2HPGD
SCHEMBL16383074 0.70 TSHR (0.39) ALDH1A1HPGDHIF1A
SCHEMBL38654595 0.69 NAAA (0.36) NAAAALDH1A1CYP1A2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605276-B2 Spirocyclic acetal compound and method of producing the same, and polymer having spirocyclic acetal structure FUJIFILM CORPORATION (JP) 2009-10-20 US disclosed
US-20070191584-A1 dehydration condensation, in the presence of a solid acid catalyst, formula (I) and pentaerythritol FUJIFILM CORPORATION (JP) 2007-08-16 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 (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-20070191584-A1 dehydration condensation, in the presence of a solid acid catalyst, formula (I) and pentaerythritol CCNL2, PKD1, MRPL21 PRKCA 2682/4885NAAA 641/4885ALDH1A1 573/4885

“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.