SCHEMBL6450146

SCHEMBL6450146

O=C(Oc1ccc(F)cc1)[C@@]1(C(F)(F)F)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 0.36
ALOX15 P16050 1/20 0.35
TRPA1 O75762 1/20 0.35
CPT1A P50416 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6450150 1.00 KMT2A (0.38) KMT2AGAAATMALDH1A1CYP1A2
SCHEMBL6450387 0.87 L3MBTL1 (0.42) GAAATMALDH1A1KDM4EHPGD
SCHEMBL6450044 0.87 L3MBTL1 (0.42) GAAATMALDH1A1KDM4EHPGD
SCHEMBL6450053 0.87 L3MBTL1 (0.42) GAAATMALDH1A1KDM4EHPGD
SCHEMBL6450082 0.86 MAOB (0.42) KMT2AGAAALDH1A1CYP1A2KDM4E
SCHEMBL6447016 0.86 CPT1A (0.48) KMT2ACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL6447003 0.86 RAB9A (0.36) KMT2AGAAALDH1A1TSHRMAPT
SCHEMBL6447006 0.86 RAB9A (0.36) KMT2AGAAALDH1A1TSHRMAPT
SCHEMBL6450087 0.86 MAOB (0.42) KMT2AGAAALDH1A1CYP1A2KDM4E
SCHEMBL6447020 0.86 CPT1A (0.48) KMT2ACYP1A2CYP3A4CYP2C19MAPT

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 KMT2A 1059/4885GAA 3002/4885ATM 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.