SCHEMBL21172113

SCHEMBL21172113

CCC(C)(C)C(=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.41
POLB P06746 3/20 0.41
RIPK1 Q13546 6/20 0.40
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL21236780 0.86 HDAC3 (0.43) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL409869 0.81 ALDH1A1 (0.66) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL18993484 0.75 HDAC3 (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL462670 0.75 HDAC3 (0.53) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL12863552 0.75 KMT2A (0.53) RIPK1KMT2ATSHR
SCHEMBL2740685 0.75 POLB (0.45) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL18748394 0.73 HDAC3 (0.52) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL14825901 0.72 POLB (0.39) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL15315503 0.72 KMT2A (0.48) POLBKMT2ACYP1A2
SCHEMBL7043488 0.70 HDAC3 (0.57) HDAC3HDAC4HDAC7HDAC8HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10760078-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups SAREPTA THERAPEUTICS, INC. (US) 2020-09-01 US disclosed
US-10398721-B2 Methods for treating progeroid laminopathies using oligonucleotide analogues targeting human LMNA SAREPTA THERAPEUTICS, INC. (US) 2019-09-03 US disclosed
US-20190218551-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-07-18 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-20190218551-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB HDAC3 1297/4885HDAC4 1413/4885HDAC7 1310/4885
US-10398721-B2 Methods for treating progeroid laminopathies using oligonucleotide analogues targeting human LMNA LMNA, LMNB2, LMNB1 HDAC3 2669/4885HDAC4 2268/4885HDAC7 2701/4885
US-10760078-B2 Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups NSUN2, UPF1, RTCB HDAC3 1297/4885HDAC4 1413/4885HDAC7 1310/4885

“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.