SCHEMBL6450220

SCHEMBL6450220

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PDK2 Q15119 1/20 0.35
PAOX Q6QHF9 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
EPHX1 P07099 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 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
SCHEMBL6446980 0.90 HTT (0.45) TDP1ALDH1A1PAOXGAAHTT
SCHEMBL6446725 0.85 TDP1 (0.36) TDP1KMT2APDK2HTTMEN1
SCHEMBL6445727 0.75 MEN1 (0.44) KMT2AMEN1
SCHEMBL13953340 0.74 DGAT1 (0.52) POLBKMT2AALDH1A1MEN1EPHX1
SCHEMBL6445644 0.72 LMNA (0.33) KMT2AALDH1A1MEN1EPHX1
SCHEMBL15338880 0.68 POLB (0.44) POLBKMT2AALDH1A1MEN1EPHX1
SCHEMBL6448268 0.67 NPC1 (0.33) TDP1KMT2AALDH1A1MEN1
SCHEMBL6448270 0.67 NPC1 (0.33) TDP1KMT2AALDH1A1MEN1
SCHEMBL26343600 0.67 POLB (0.40) POLBKMT2AALDH1A1MEN1EPHX1
SCHEMBL6447041 0.67 ATM (0.47) POLBALDH1A1HTT

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 POLB 1140/4885TDP1 4399/4885KMT2A 1059/4885

“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.