SCHEMBL6445579

SCHEMBL6445579

CC(C)OC(=O)C1(C(F)(F)F)CO1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL6445576 1.00 TSHR (0.38) TSHRPDK2SMN1; SMN2ADORA2B
SCHEMBL6448268 0.78 NPC1 (0.33) SMN1; SMN2
SCHEMBL6448270 0.78 NPC1 (0.33) SMN1; SMN2
SCHEMBL6447041 0.73 ATM (0.47) SMN1; SMN2
SCHEMBL14968260 0.71 TSHR (0.44) TSHRSMN1; SMN2
SCHEMBL21033826 0.68 TSHR (0.41) TSHRSMN1; SMN2
SCHEMBL28799347 0.68 TSHR (0.32) TSHRPDK2
SCHEMBL6448425 0.68 NPC1 (0.32) SMN1; SMN2
SCHEMBL6448419 0.68 NPC1 (0.32) SMN1; SMN2
SCHEMBL14967385 0.67 TSHR (0.39) TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921832-B2 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2005-07-26 US disclosed
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2004-07-29 US disclosed
EP-1422226-A1 Optically active fluorine-containing compounds and processes for their production Tosoh Corporation (JP) 2004-05-26 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-20040147756-A1 Optically active fluorine-containing compounds and processes for their production CYP2C19, CYP2F1, CYP2B6 TSHR 986/4885PDK2 1931/4885SMN1; SMN2 3381/4885

“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.