SCHEMBL6448101

SCHEMBL6448101

O=C(Oc1ccccc1F)C1(C(F)(F)F)CO1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 4/20 0.38
KMT2A Q03164 3/20 0.37
FKBP1A P62942 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PARP10 Q53GL7 1/20 0.36
CXCL8 P10145 1/20 0.36
HPGD P15428 2/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ADRB2 P07550 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
SCHEMBL6448096 1.00 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2FAAHKMT2A
SCHEMBL6448295 0.84 L3MBTL1 (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL6448288 0.84 L3MBTL1 (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL6446835 0.83 HCRTR2 (0.39) ALDH1A1MAPTSMN1; SMN2KMT2ACXCL8
SCHEMBL6450358 0.83 PDK2 (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL6446836 0.83 HCRTR2 (0.39) ALDH1A1MAPTSMN1; SMN2KMT2ACXCL8
SCHEMBL6450356 0.83 PDK2 (0.40) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL6450146 0.79 KMT2A (0.38) ALDH1A1MAPTSMN1; SMN2FAAHKMT2A
SCHEMBL6450150 0.79 KMT2A (0.38) ALDH1A1MAPTSMN1; SMN2FAAHKMT2A
SCHEMBL6450387 0.79 L3MBTL1 (0.42) ALDH1A1MAPTSMN1; SMN2FAAHL3MBTL1

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 ALDH1A1 898/4885MAPT 3196/4885SMN1; SMN2 3381/4885

“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.