SCHEMBL7367216

SCHEMBL7367216

COC(=O)C(=O)CCCCCCSc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
HDAC1 Q13547 10/20 0.53
HDAC2 Q92769 8/20 0.53
HDAC8 Q9BY41 7/20 0.53
HDAC3 O15379 6/20 0.53
HDAC4 P56524 6/20 0.53
HDAC7 Q8WUI4 6/20 0.53
HDAC10 Q969S8 6/20 0.53
HDAC11 Q96DB2 6/20 0.53
HDAC6 Q9UBN7 6/20 0.53
HDAC9 Q9UKV0 6/20 0.53
HDAC5 Q9UQL6 6/20 0.53
ANPEP P15144 1/20 0.46
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20545557 0.86 CNR2 (0.60) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL7368629 0.84 HDAC1 (0.70) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL7372247 0.83 HDAC1 (0.72) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7371689 0.80 ALDH1A1 (0.60) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL29371532 0.80 HDAC1 (0.71) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL20545498 0.80 HDAC1 (0.71) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL17141115 0.80 HDAC1 (0.71) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL7364516 0.79 HDAC1 (0.58) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL7368226 0.79 CNR2 (0.57) CNR2HDAC1HDAC2HDAC8HDAC3
SCHEMBL9041688 0.78 CNR2 (0.50) CNR2HDAC1HDAC2HDAC8HDAC3

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-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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 (2 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 CNR2 4518/4885HDAC1 1/4885HDAC2 7/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 CNR2 4785/4885HDAC1 1/4885HDAC2 4/4885

“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.