SCHEMBL6446980

SCHEMBL6446980

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
GAA P10253 1/20 0.45
EPHX1 P07099 3/20 0.42
TDP1 Q9NUW8 1/20 0.39
SPHK1 Q9NYA1 6/20 0.38
TSHR P16473 1/20 0.38
PAOX Q6QHF9 1/20 0.37
ACHE P22303 1/20 0.37
MMP2 P08253 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6450220 0.90 POLB (0.38) HTTGAAEPHX1TDP1PAOX
SCHEMBL6446725 0.82 TDP1 (0.36) HTTTDP1
SCHEMBL27490331 0.72 MMP2 (0.43) HTTEPHX1SPHK1ACHEMMP2
SCHEMBL6445727 0.72 MEN1 (0.44)
SCHEMBL11161458 0.70 EPHX1 (0.47) EPHX1SPHK1ACHE
SCHEMBL6445644 0.69 LMNA (0.33) EPHX1ALDH1A1
SCHEMBL48873 0.69
SCHEMBL23133081 0.67 SPHK1 (0.47) HTTEPHX1SPHK1TSHRACHE
SCHEMBL11857792 0.67 EPHX1 (0.57) HTTGAAEPHX1ACHEMMP2
SCHEMBL28726702 0.67

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 HTT 2253/4885GAA 3002/4885EPHX1 1735/4885

“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.