SCHEMBL15768650

SCHEMBL15768650

C[C@@]1(C(=O)O)[C@@H](c2ccccc2)[C@@]1(C)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
HDAC4 P56524 1/20 0.41
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.37
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
HTT P42858 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
BCL2 P10415 1/20 0.34
MEN1 O00255 2/20 0.34
FPR2 P25090 1/20 0.34
ACHE P22303 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
SCHEMBL16912904 0.81 RORC (0.42) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL15547722 0.81 RORC (0.42) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL15769042 0.74 HDAC4 (0.56) HDAC4
SCHEMBL15547315 0.71 HDAC4 (0.47) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL16912922 0.71 HDAC4 (0.47) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL12694482 0.67 HDAC4 (0.46) HDAC4KMT2ANPSR1KDM4EHTT
SCHEMBL15783738 0.67 HDAC4 (0.46) HDAC4KMT2ANPSR1KDM4EHTT
SCHEMBL4324752 0.65 ALDH1A1 (0.43) HDAC4KMT2AMAOAMAOBGAA
SCHEMBL15556820 0.65 TSHR (0.38) RORCHDAC4KMT2ANPSR1KDM4E
SCHEMBL15547542 0.65 HDAC4 (0.48) HDAC4KMT2AFABP7FABP5MAOA

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 RORC 2123/4885HDAC4 10/4885KMT2A 84/4885

“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.