SCHEMBL6447016

SCHEMBL6447016

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.48
ELANE P08246 1/20 0.39
LIPE Q05469 4/20 0.38
MAPT P10636 2/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARA Q07869 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
BCHE P06276 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
SCHEMBL6447020 1.00 CPT1A (0.48) CPT1AELANELIPEMAPTABCB11
SCHEMBL6450150 0.86 KMT2A (0.38) CPT1AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6450146 0.86 KMT2A (0.38) CPT1AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6450044 0.85 L3MBTL1 (0.42) ELANEMAPTTRPV1SMN1; SMN2
SCHEMBL6450053 0.85 L3MBTL1 (0.42) ELANEMAPTTRPV1SMN1; SMN2
SCHEMBL6450387 0.85 L3MBTL1 (0.42) ELANEMAPTTRPV1SMN1; SMN2
SCHEMBL6447006 0.84 RAB9A (0.36) CPT1AMAPTLMNAMAPK1TRPV1
SCHEMBL6450087 0.84 MAOB (0.42) MAPTLMNAMAPK1TRPV1MEN1
SCHEMBL6447003 0.84 RAB9A (0.36) CPT1AMAPTLMNAMAPK1TRPV1
SCHEMBL6450082 0.84 MAOB (0.42) MAPTLMNAMAPK1TRPV1MEN1

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 CPT1A 684/4885ELANE 3941/4885LIPE 3187/4885

“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.