SCHEMBL12371901

SCHEMBL12371901

Cc1cc(C)cc(NC(=O)CCCCCCCCC(=O)Nc2cc(C)cc(C)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.83
HDAC3 O15379 8/20 0.83
HDAC1 Q13547 8/20 0.83
HDAC2 Q92769 8/20 0.83
HDAC10 Q969S8 8/20 0.83
HDAC11 Q96DB2 8/20 0.83
HDAC6 Q9UBN7 8/20 0.83
HDAC4 P56524 6/20 0.83
HDAC7 Q8WUI4 6/20 0.83
HDAC9 Q9UKV0 6/20 0.83
HDAC5 Q9UQL6 6/20 0.83
NCOR2 Q9Y618 2/20 0.61
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
RAB9A P51151 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL7129534 0.93 HDAC3 (0.73) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL7369775 0.87 HDAC3 (0.65) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL8610330 0.87 HDAC8 (0.65) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL27742472 0.87 HDAC3 (0.70) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL23080120 0.84 HDAC3 (0.66) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL14675977 0.84 HDAC3 (0.66) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL2097555 0.83 HDAC3 (0.64) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL14075748 0.82 HDAC3 (0.64) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL27396745 0.82 HDAC3 (0.64) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL27942322 0.82 HDAC3 (0.64) HDAC8HDAC3HDAC1HDAC2HDAC10

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-20180098950-A1 INHIBITORS OF ABETA AND SYNUCLEIN AGGREGATION THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2018-04-12 US disclosed
US-8865641-B2 Methods of treatment of fatty liver disease by pharmacological activation of cholinergic pathways THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2014-10-21 US disclosed
US-20120322719-A1 METHODS OF TREATMENT OF FATTY LIVER DISEASE BY PHARMACOLOGICAL ACTIVATION OF CHOLINERGIC PATHWAYS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2012-12-20 US disclosed
US-20110201686-A1 Inhibitors of ASS and Synuclein Aggregation AL-ABED YOUSEF 2011-08-18 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 (3 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-20110201686-A1 Inhibitors of ASS and Synuclein Aggregation SNCA, ASS1, PRNP HDAC8 1562/4885HDAC3 1355/4885HDAC1 738/4885
US-20180098950-A1 INHIBITORS OF ABETA AND SYNUCLEIN AGGREGATION SNCA, PRNP, PYGB HDAC8 3746/4885HDAC3 3875/4885HDAC1 2806/4885
US-20120322719-A1 METHODS OF TREATMENT OF FATTY LIVER DISEASE BY PHARMACOLOGICAL ACTIVATION OF CHOLINERGIC PATHWAYS CHAT, CHKB, CHRM2 HDAC8 553/4885HDAC3 544/4885HDAC1 1287/4885

“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.