SCHEMBL15768963

SCHEMBL15768963

CC[C@@]1(C(=O)O)[C@@H](c2ccccc2)[C@@H]1c1cccc(-c2ncc(C)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.57
HDAC3 O15379 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HDAC1 Q13547 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL15768961 1.00 HDAC4 (0.57) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768492 0.89 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12499541 0.89 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768564 0.81 MEN1 (0.48) HDAC4ALDH1A1MEN1KMT2ARECQL
SCHEMBL12498121 0.81 MEN1 (0.48) HDAC4ALDH1A1MEN1KMT2ARECQL
SCHEMBL15768918 0.77 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12498080 0.77 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768616 0.75 HDAC4 (0.46) HDAC4ALDH1A1MEN1KMT2AHPGD
SCHEMBL12498595 0.75 HDAC4 (0.46) HDAC4ALDH1A1MEN1KMT2AHPGD
SCHEMBL15768960 0.73 HDAC4 (0.68) HDAC4HDAC3HDAC7HDAC8HDAC6

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 10/4885HDAC3 5/4885HDAC7 2/4885

“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.