SCHEMBL15768751

SCHEMBL15768751

CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.63
FABP7 O15540 2/20 0.53
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.42
PPARG P37231 4/20 0.42
MDM2 Q00987 1/20 0.42
GAA P10253 1/20 0.41
FABP5 Q01469 1/20 0.40
POLB P06746 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39

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
SCHEMBL15768719 0.82 HDAC4 (0.64) HDAC4FABP7MEN1CYP1A2CYP2D6
SCHEMBL14276798 0.80 TSHR (0.60) FABP7MEN1CYP1A2CYP2D6CYP2C19
SCHEMBL5122894 0.80 TSHR (0.60) FABP7MEN1CYP1A2CYP2D6CYP2C19
SCHEMBL15768992 0.79 TSHR (0.53) FABP7MEN1CYP1A2CYP2D6CYP2C19
SCHEMBL15769328 0.78 HDAC4 (0.64) HDAC4FABP7MEN1CYP1A2CYP2D6
SCHEMBL15768899 0.78 HDAC4 (1.00) HDAC4
SCHEMBL18418086 0.77 GAA (0.63) FABP7MEN1CYP1A2CYP2D6CYP2C19
SCHEMBL18462855 0.77 GAA (0.63) FABP7MEN1CYP1A2CYP2D6CYP2C19
SCHEMBL17366557 0.77 GAA (0.63) FABP7MEN1CYP1A2CYP2D6CYP2C19
SCHEMBL15769126 0.76 HDAC4 (0.59) HDAC4FABP7MEN1CYP1A2CYP2D6

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
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885FABP7 2220/4885MEN1 3789/4885

“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.