SCHEMBL4501928

SCHEMBL4501928

CC(=O)OCC1(C)OCC2(CO1)COC(C)(COC(C)=O)OC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCA P17252 3/20 0.33
ABCB1 P08183 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
G6PD P11413 1/20 0.32
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 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
SCHEMBL13674849 0.89 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10PRKCA
SCHEMBL8082092 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10PRKCAABCB1
SCHEMBL4502665 0.82 NAAA (0.33) ALDH1A1CYP2C19
SCHEMBL4499475 0.81 TSHR (0.44) ALDH1A1TSHR
SCHEMBL4510184 0.80 TSHR (0.39) ALDH1A1HSD17B10SMN1; SMN2TSHRCYP3A4
SCHEMBL13035886 0.78
SCHEMBL10349285 0.76
SCHEMBL13674848 0.72 PRKCA (0.34) PRKCA
SCHEMBL3462902 0.72 EPHX1 (0.44) ALDH1A1LMNAHSD17B10PRKCAABCB1
SCHEMBL25131691 0.71 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10PRKCAABCB1

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 6 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-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-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
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
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 ALDH1A1 573/4885LMNA 686/4885HSD17B10 478/4885

“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.