SCHEMBL6447041

SCHEMBL6447041

CCOC(=O)[C@@]1(C(F)(F)F)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 4/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
ABCB11 O95342 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL6447044 1.00 ATM (0.47) ATMALDH1A1LMNAHSD17B10OPRM1
SCHEMBL15957787 0.87 ATM (0.42) ATMALDH1A1LMNAHSD17B10OPRM1
SCHEMBL4649834 0.82 ATM (0.45) ATMALDH1A1LMNAHSD17B10OPRM1
SCHEMBL6445545 0.82 ALDH1A1 (0.46) ATMALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL6445550 0.82 ALDH1A1 (0.46) ATMALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3438632 0.77 ATM (0.36) ATMALDH1A1LMNAHSD17B10OPRM1
SCHEMBL6453831 0.74 GAA (0.33) SMN1; SMN2
SCHEMBL6445579 0.73 TSHR (0.38) SMN1; SMN2
SCHEMBL6445576 0.73 TSHR (0.38) SMN1; SMN2
SCHEMBL3437068 0.73 ATM (0.35) ATMOPRM1OPRD1OPRK1TP53

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 ATM 2583/4885ALDH1A1 898/4885LMNA 3125/4885

“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.