SCHEMBL15768991

SCHEMBL15768991

CC1(C(=O)O)C(c2ccccc2)C1c1ccc(-c2nccc(C(F)(F)F)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.68
SLC6A7 Q99884 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SYK P43405 5/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
IGF1R P08069 1/20 0.37

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
SCHEMBL12499633 1.00 HDAC4 (0.68) HDAC4SLC6A7HDAC3HDAC1HDAC7
SCHEMBL15606946 0.82 HDAC4 (0.76) HDAC4SLC6A7HDAC3HDAC1HDAC7
SCHEMBL12498073 0.82 HDAC4 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15769110 0.82 HDAC4 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15606850 0.81 HDAC4 (1.00) HDAC4SLC6A7HDAC3HDAC1HDAC7
SCHEMBL15606874 0.81 HDAC4 (1.00) HDAC4SLC6A7HDAC3HDAC1HDAC7
SCHEMBL15546375 0.80 HDAC4 (0.58) HDAC4SLC6A7SYKTAS2R14IGF1R
SCHEMBL12499014 0.80 HDAC4 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15769211 0.80 HDAC4 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL23683043 0.77 HDAC4 (0.68) HDAC4SLC6A7SYK

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 10/4885SLC6A7 2607/4885HDAC3 5/4885

“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.