SCHEMBL6448447

SCHEMBL6448447

O=C(OCCC1CCCCC1)[C@@]1(C(F)(F)F)CO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAAA Q02083 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 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
SCHEMBL6448452 1.00 EPHX1 (0.36) EPHX1MEN1KMT2ANAAASMN1; SMN2
SCHEMBL6447894 0.86 LMNA (0.41) MEN1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL6447898 0.86 LMNA (0.41) MEN1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL6448054 0.74 NAAA (0.39) EPHX1MEN1KMT2ANAAASMN1; SMN2
SCHEMBL6448059 0.74 NAAA (0.39) EPHX1MEN1KMT2ANAAASMN1; SMN2
SCHEMBL6445545 0.73 ALDH1A1 (0.46) NAAASMN1; SMN2TDP1L3MBTL1HPGD
SCHEMBL6445550 0.73 ALDH1A1 (0.46) NAAASMN1; SMN2TDP1L3MBTL1HPGD
SCHEMBL6446775 0.73 EPHX1 (0.46) EPHX1MEN1KMT2AL3MBTL1HPGD
SCHEMBL1066774 0.72 EPHX1 (0.41) EPHX1MEN1KMT2ANAAASMN1; SMN2
SCHEMBL6447041 0.72 ATM (0.47) SMN1; SMN2L3MBTL1

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 EPHX1 1735/4885MEN1 1070/4885KMT2A 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.