SCHEMBL12499773

SCHEMBL12499773

CC[C@@]1(C(=O)O)[C@H](c2ccccc2F)[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.43
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
GAA P10253 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 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
SCHEMBL12498067 1.00 HDAC4 (0.43) HDAC4KDM1ARCOR1GAATSHR
SCHEMBL15768725 1.00 HDAC4 (0.43) HDAC4KDM1ARCOR1GAATSHR
SCHEMBL12498918 0.84 HDAC4 (0.42) HDAC4KDM1ARCOR1GAATSHR
SCHEMBL15768582 0.84 HDAC4 (0.42) HDAC4KDM1ARCOR1GAATSHR
SCHEMBL15768826 0.84 HDAC4 (0.44) HDAC4GAATSHRALDH1A1HTT
SCHEMBL12499379 0.84 HDAC4 (0.44) HDAC4GAATSHRALDH1A1HTT
SCHEMBL15768850 0.83 HDAC4 (0.37) HDAC4KDM1ARCOR1ALDH1A1HDAC3
SCHEMBL12499759 0.83 HDAC4 (0.37) HDAC4KDM1ARCOR1ALDH1A1HDAC3
SCHEMBL15768762 0.82 SLC6A4 (0.36) HDAC4KDM1AALDH1A1POLBHDAC3
SCHEMBL12498953 0.82 SLC6A4 (0.36) HDAC4KDM1AALDH1A1POLBHDAC3

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 10/4885KDM1A 36/4885RCOR1 727/4885

“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.