SCHEMBL6450087

SCHEMBL6450087

COc1ccc(OC(=O)C2(C(F)(F)F)CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
NPY2R P49146 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL6450082 1.00 MAOB (0.42) MAOBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6449983 0.87 LMNA (0.42) MAPTGAASMN1; SMN2ALDH1A1HTT
SCHEMBL6449984 0.87 LMNA (0.42) MAPTGAASMN1; SMN2ALDH1A1HTT
SCHEMBL6450150 0.86 KMT2A (0.38) MAOBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6450146 0.86 KMT2A (0.38) MAOBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6450044 0.85 L3MBTL1 (0.42) MAOBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6450053 0.85 L3MBTL1 (0.42) MAOBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6450387 0.85 L3MBTL1 (0.42) MAOBMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6447003 0.84 RAB9A (0.36) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL6447006 0.84 RAB9A (0.36) MAPTGAASMN1; SMN2ALDH1A1LMNA

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 MAOB 210/4885MAPT 3196/4885GAA 3002/4885

“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.