SCHEMBL6447003

SCHEMBL6447003

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CHRNA7 P36544 1/20 0.35
CPT1A P50416 1/20 0.34
LDHA P00338 1/20 0.34
MAPT P10636 4/20 0.34
HIF1A Q16665 1/20 0.34
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6447006 1.00 RAB9A (0.36) RAB9ASMN1; SMN2NPC1FAAHTRPV1
SCHEMBL6450146 0.86 KMT2A (0.38) SMN1; SMN2FAAHCPT1AMAPTKMT2A
SCHEMBL6450150 0.86 KMT2A (0.38) SMN1; SMN2FAAHCPT1AMAPTKMT2A
SCHEMBL6450053 0.85 L3MBTL1 (0.42) RAB9ASMN1; SMN2NPC1FAAHTRPV1
SCHEMBL6450387 0.85 L3MBTL1 (0.42) RAB9ASMN1; SMN2NPC1FAAHTRPV1
SCHEMBL6450044 0.85 L3MBTL1 (0.42) RAB9ASMN1; SMN2NPC1FAAHTRPV1
SCHEMBL6450082 0.84 MAOB (0.42) RAB9ASMN1; SMN2NPC1FAAHTRPV1
SCHEMBL6447016 0.84 CPT1A (0.48) SMN1; SMN2TRPV1CPT1AMAPTKMT2A
SCHEMBL6450087 0.84 MAOB (0.42) RAB9ASMN1; SMN2NPC1FAAHTRPV1
SCHEMBL6447020 0.84 CPT1A (0.48) SMN1; SMN2TRPV1CPT1AMAPTKMT2A

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 RAB9A 465/4885SMN1; 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.