SCHEMBL6447033

SCHEMBL6447033

O=C(NC1CCCCC1)[C@@]1(C(F)(F)F)CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
EPHX2 P34913 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 3/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6448274 0.76 EPHX1 (0.45) EPHX1NPC1RAB9AKMT2AMEN1
SCHEMBL6445727 0.70 MEN1 (0.44) KMT2AMEN1
SCHEMBL6448059 0.69 NAAA (0.39) EPHX1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6448054 0.69 NAAA (0.39) EPHX1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL28321073 0.68 EPHX1 (0.64) EPHX1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL11863666 0.68 EPHX1 (0.64) EPHX1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL3234006 0.67 PDK1 (0.63) EPHX1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL6445644 0.67 LMNA (0.33) EPHX1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14399467 0.66 PDK1 (0.67) EPHX1SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL14748226 0.66 EPHX1 (0.54) EPHX1SMN1; SMN2NPC1RAB9AEPHX2

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 1735/4885SMN1; SMN2 3381/4885NPC1 399/4885

“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.