SCHEMBL12499707

SCHEMBL12499707

CC[C@@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@@H]1c1ccnc(C2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.60
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NPC1 O15118 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KCNJ6 P48051 2/20 0.36
KCNJ3 P48549 2/20 0.36
KCNJ5 P48544 1/20 0.36
DRD4 P21917 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL15768732 1.00 HDAC4 (0.60) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768956 0.90 HDAC4 (0.55) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12498650 0.90 HDAC4 (0.55) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12498904 0.89 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768652 0.89 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12499049 0.87 HDAC4 (0.47) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768946 0.87 HDAC4 (0.47) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768522 0.85 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12497847 0.85 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768731 0.76 HDAC4 (0.66) 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 4 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
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO 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.