SCHEMBL6446775

SCHEMBL6446775

O=C(NCCC1CCCCC1)[C@@]1(C(F)(F)F)CO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
METAP2 P50579 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 2/20 0.37
BCHE P06276 1/20 0.36
HPGD P15428 1/20 0.35

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 0.86 EPHX1 (0.45) EPHX1MEN1KMT2ANPC1RAB9A
SCHEMBL6450220 0.76 POLB (0.38) EPHX1MEN1KMT2A
SCHEMBL8392277 0.75 EPHX1 (0.59) EPHX1NPC1RAB9AL3MBTL1SIGMAR1
SCHEMBL931424 0.75 EPHX1 (0.59) EPHX1NPC1RAB9AL3MBTL1SIGMAR1
SCHEMBL6447033 0.74 EPHX1 (0.44) EPHX1MEN1KMT2ANPC1RAB9A
SCHEMBL6448452 0.73 EPHX1 (0.36) EPHX1MEN1KMT2AL3MBTL1HPGD
SCHEMBL6448447 0.73 EPHX1 (0.36) EPHX1MEN1KMT2AL3MBTL1HPGD
SCHEMBL6707040 0.73 EPHX1 (0.56) EPHX1NPC1RAB9AL3MBTL1SIGMAR1
SCHEMBL6446725 0.72 TDP1 (0.36) MEN1KMT2A
SCHEMBL629852 0.72 EPHX1 (0.56) EPHX1MEN1KMT2ANPC1RAB9A

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.