SCHEMBL4846219

SCHEMBL4846219

CC(OC(=O)C1=CCCCC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CTSK P43235 1/20 0.38
ADORA2B P29275 3/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM3 P20309 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17720792 0.77 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL17049264 0.76 HDAC4 (0.50) HDAC4HDAC2HDAC8HDAC6CTSK
Ammonia Solution, Strong SCHEMBL27732707 0.76 HDAC4 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL17717462 0.76 HDAC4 (0.36) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL809748 0.72 HDAC2 (0.57) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL8429199 0.72 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL18897326 0.71 HDAC2 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL29288037 0.71 HDAC2 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL1114176 0.71 HDAC2 (0.43) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL4710137 0.71 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955991-A2 Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon Air Products and Chemicals, Inc. (US) 2008-08-13 EP disclosed
US-20080188689-A1 Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon VERSUM MATERIALS US, LLC 2008-08-07 US 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-20080188689-A1 Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon AFF4, RFC4, SF3B3 HDAC4 418/4885HDAC2 2246/4885HDAC8 2527/4885

“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.