SCHEMBL12499379

SCHEMBL12499379

CC[C@@]1(C(=O)O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.44
HTT P42858 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A4 P31645 1/20 0.35
EDNRA P25101 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL15768826 1.00 HDAC4 (0.44) HDAC4HTTCA1CA2TSHR
SCHEMBL15768582 0.85 HDAC4 (0.42) HDAC4HTTTSHRCYP1A2CYP3A4
SCHEMBL12498918 0.85 HDAC4 (0.42) HDAC4HTTTSHRCYP1A2CYP3A4
SCHEMBL15768762 0.84 SLC6A4 (0.36) HDAC4HTTCYP1A2CYP3A4CYP2D6
SCHEMBL15768725 0.84 HDAC4 (0.43) HDAC4HTTTSHRCYP1A2CYP3A4
SCHEMBL12498067 0.84 HDAC4 (0.43) HDAC4HTTTSHRCYP1A2CYP3A4
SCHEMBL12499773 0.84 HDAC4 (0.43) HDAC4HTTTSHRCYP1A2CYP3A4
SCHEMBL12498953 0.84 SLC6A4 (0.36) HDAC4HTTCYP1A2CYP3A4CYP2D6
SCHEMBL15768692 0.79 ALDH1A1 (0.41) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12498139 0.79 ALDH1A1 (0.41) TSHRCYP1A2CYP3A4CYP2D6CYP2C9

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 10/4885HTT 2619/4885CA1 321/4885

“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.