SCHEMBL4812653

SCHEMBL4812653

CCOc1ccc(C2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.76
MEN1 O00255 1/20 0.76
TSHR P16473 1/20 0.76
TET3 O43151 2/20 0.62
FBXL19 Q6PCT2 2/20 0.62
CXXC5 Q7LFL8 2/20 0.62
TET1 Q8NFU7 2/20 0.62
KDM2B Q8NHM5 2/20 0.62
CXXC4 Q9H2H0 2/20 0.62
KDM2A Q9Y2K7 2/20 0.62
AKR1C1 Q04828 1/20 0.54
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ADORA3 P0DMS8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
NQO1 P15559 1/20 0.44
PARP10 Q53GL7 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL11232365 0.95 KMT2A (0.73) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL4342214 0.92 KMT2A (0.68) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL4812962 0.86 KMT2A (0.57) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL5510283 0.86 KMT2A (0.57) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL21874064 0.83 KMT2A (0.68) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL28507069 0.82 KMT2A (0.57) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL21874269 0.82 KMT2A (0.63) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL503877 0.82 KMT2A (0.63) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL5508063 0.81 KMT2A (0.55) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL21874210 0.81 MEN1 (0.62) KMT2AMEN1TSHRAKR1C1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112210156-A Ceramic halogen-free flame-retardant polymer composite material and application thereof 宁夏师范学院 2021-01-12 CN disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 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-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 KMT2A 86/4885MEN1 3250/4885TSHR 4107/4885

“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.