SCHEMBL15768581

SCHEMBL15768581

CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccccc1Br

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.61
TSHR P16473 2/20 0.49
FABP7 O15540 4/20 0.48
PPARG P37231 4/20 0.48
FABP5 Q01469 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL14276798 0.88 TSHR (0.60) TSHRFABP7PPARGFABP5CYP1A2
SCHEMBL5122894 0.88 TSHR (0.60) TSHRFABP7PPARGFABP5CYP1A2
SCHEMBL12694396 0.87 HDAC4 (0.61) HDAC4TSHRFABP7PPARGFABP5
SCHEMBL12694395 0.86 TSHR (0.49) HDAC4TSHRFABP7PPARGFABP5
SCHEMBL15786645 0.86 TSHR (0.49) HDAC4TSHRFABP7PPARGFABP5
SCHEMBL15783747 0.85 FABP7 (0.60) HDAC4TSHRFABP7PPARGFABP5
SCHEMBL18462855 0.85 GAA (0.63) TSHRFABP7PPARGFABP5CYP1A2
SCHEMBL17366557 0.85 GAA (0.63) TSHRFABP7PPARGFABP5CYP1A2
SCHEMBL18418086 0.85 GAA (0.63) TSHRFABP7PPARGFABP5CYP1A2
SCHEMBL15768954 0.84 HDAC4 (0.58) HDAC4TSHRFABP7PPARGFABP5

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 10/4885TSHR 4604/4885FABP7 2220/4885

“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.