SCHEMBL14827239

SCHEMBL14827239

COC(=O)/C1=C/CCCCCCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
CHRM3 P20309 2/20 0.50
CTSK P43235 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
THRB P10828 1/20 0.49
CHRM1 P11229 1/20 0.49
BLM P54132 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL11371607 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL15426906 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL11326897 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL9806702 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL4710137 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL11323894 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL15426911 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL9806700 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL11371613 1.00 HDAC4 (0.55) HDAC4HDAC2HDAC8HDAC6CHRM3
SCHEMBL809748 0.98 HDAC2 (0.57) HDAC4HDAC2HDAC8HDAC6CHRM3

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-9120711-B2 Carboxylation catalysts UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2015-09-01 US disclosed
US-20130085276-A1 CARBOXYLATION CATALYSTS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2013-04-04 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-20130085276-A1 CARBOXYLATION CATALYSTS CTH, ME3, CPN1 HDAC4 3808/4885HDAC2 3706/4885HDAC8 3132/4885

“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.