SCHEMBL4499475

SCHEMBL4499475

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.38

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
SCHEMBL18021923 0.86 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL18021918 0.86 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL18021924 0.85 ALDH1A1 (0.46) TSHRALDH1A1THRB
SCHEMBL18021915 0.83 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL714093 0.79 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL4510184 0.77 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL18021926 0.77 ALDH1A1 (0.36) TSHRALDH1A1THRB
SCHEMBL154821 0.76 ALDH1A1 (0.44) TSHRALDH1A1THRB
SCHEMBL10986576 0.75 ALDH1A1 (0.43) TSHRALDH1A1THRB
SCHEMBL9923824 0.75 ALDH1A1 (0.43) TSHRALDH1A1THRB

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 TSHR 2357/4885ALDH1A1 573/4885THRB 3330/4885

“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.