SCHEMBL5605853

SCHEMBL5605853

CC(=O)C(C)C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL14670242 0.79 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL25846538 0.75
SCHEMBL25840174 0.75
SCHEMBL14252171 0.75
SCHEMBL14617059 0.75
SCHEMBL12660007 0.74
SCHEMBL7587650 0.71
SCHEMBL12336186 0.71
SCHEMBL13039773 0.71
SCHEMBL8532247 0.70

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-7205443-B2 reducing a hydroxy ketone in presence of ruthenium catalyst CENTRAL GLASS COMPANY, LIMITED (JP) 2007-04-17 US disclosed
US-20050215836-A1 reducing a hydroxy ketone in presence of ruthenium catalyst CENTRAL GLASS COMPANY, LIMITED (JP) 2005-09-29 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-20050215836-A1 reducing a hydroxy ketone in presence of ruthenium catalyst HSD17B7, AKR1C3, AKR1C2 ALDH1A1 126/4885TSHR 1717/4885

“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.