SCHEMBL3630767

SCHEMBL3630767

CCCCCCCCCCCCC(CCC)C(=O)OCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 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
CA2 P00918 2/20 0.46
ACHE P22303 1/20 0.43
ZDHHC7 Q9NXF8 1/20 0.43
MAPT P10636 2/20 0.43
CA1 P00915 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL12157087 0.98 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31337122 0.96 CA2 (0.48) CA2ACHEZDHHC7MAPTCA1
Ammonia Solution, Strong SCHEMBL28670476 0.95 CA2 (0.47) CA2ACHEZDHHC7MAPTCA1
SCHEMBL31337132 0.95 CA2 (0.52) CA2ACHEZDHHC7MAPTCA1
SCHEMBL28846252 0.93 CA2 (0.46) CA2ACHEZDHHC7MAPTCA1
SCHEMBL12157091 0.93 HDAC1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3630652 0.90 MEN1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25287281 0.89 ACHE (0.51) CA2ACHEZDHHC7LMNAMEN1
SCHEMBL17363980 0.89 ACHE (0.51) CA2ACHEZDHHC7LMNAMEN1
SCHEMBL17364006 0.89 ACHE (0.51) CA2ACHEZDHHC7LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687483-B2 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2010-03-30 US disclosed
EP-1305322-B1 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2010-01-13 EP disclosed
US-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2007-06-14 US disclosed
US-7186703-B2 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM LTD. (IL) 2007-03-06 US disclosed
EP-1305322-A4 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2005-04-13 EP disclosed
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM, LTD. (IL) 2003-10-02 US disclosed
EP-1305322-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-Pharm Ltd. (IL) 2003-05-02 EP disclosed
WO-2002011666-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-PHARM LTD. (IL) 2002-02-14 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-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof PLIN3, GLS, LIPG HDAC3 2201/4885HDAC4 3537/4885HDAC1 3140/4885
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof PLIN3, PLIN5, SLC27A1 HDAC3 1340/4885HDAC4 2951/4885HDAC1 2596/4885

“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.