SCHEMBL13266972

SCHEMBL13266972

O=C(O)c1ccc(C2CCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC1 Q13547 1/20 0.58
KMO O15229 1/20 0.55
HAO1 Q9UJM8 1/20 0.54
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
ACMSD Q8TDX5 2/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
DEGS1 O15121 1/20 0.47
SRD5A2 P31213 2/20 0.47

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
SCHEMBL24087489 0.98 HDAC8 (0.56) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL3495930 0.96 HDAC8 (0.63) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL354930 0.94 KMO (0.62) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL22291720 0.94 KMO (0.62) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL9471737 0.92 CYP2D6 (0.50) HDAC8HDAC6HDAC1KMOHAO1
Bicarbonate SCHEMBL7018415 0.92 KMO (0.61) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL2321634 0.91 TSHR (0.57) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL901207 0.91 TSHR (0.57) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL901209 0.91 TSHR (0.57) HDAC8HDAC6HDAC1KMOHAO1
SCHEMBL21656804 0.89 PARP10 (0.53) HDAC8HDAC6HDAC1KMOHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC8 1902/4885HDAC6 552/4885HDAC1 702/4885

“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.