SCHEMBL6450387

SCHEMBL6450387

O=C(Oc1ccccc1)[C@]1(C(F)(F)F)CO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 2/20 0.39
MAOB P27338 1/20 0.39
FAAH O00519 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL6450044 1.00 L3MBTL1 (0.42) L3MBTL1POLBATMMAOBFAAH
SCHEMBL6450053 1.00 L3MBTL1 (0.42) L3MBTL1POLBATMMAOBFAAH
SCHEMBL6450146 0.87 KMT2A (0.38) ATMMAOBFAAHMAPTKDM4E
SCHEMBL6450150 0.87 KMT2A (0.38) ATMMAOBFAAHMAPTKDM4E
SCHEMBL6450082 0.85 MAOB (0.42) MAOBFAAHTRPV1TDP1MAPT
SCHEMBL6447006 0.85 RAB9A (0.36) L3MBTL1FAAHTRPV1MAPTRAB9A
SCHEMBL6447016 0.85 CPT1A (0.48) TRPV1MAPTSMN1; SMN2ELANE
SCHEMBL6447003 0.85 RAB9A (0.36) L3MBTL1FAAHTRPV1MAPTRAB9A
SCHEMBL6450087 0.85 MAOB (0.42) MAOBFAAHTRPV1TDP1MAPT
SCHEMBL6447020 0.85 CPT1A (0.48) TRPV1MAPTSMN1; SMN2ELANE

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 L3MBTL1 1711/4885POLB 1140/4885ATM 2583/4885

“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.