SCHEMBL3630652

SCHEMBL3630652

CCCCCCCCCCCCC(CCC)C(=O)OCCOCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
USP2 O75604 1/20 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
SCHEMBL31748798 0.97 MEN1 (0.56) MEN1KMT2AMAPTTHRBHTT
SCHEMBL30533691 0.97 MEN1 (0.56) MEN1KMT2AMAPTTHRBHTT
SCHEMBL27083061 0.95 MEN1 (0.55) MEN1KMT2AMAPTTHRBHTT
SCHEMBL18191933 0.92 HDAC1 (0.47) MEN1KMT2AMAPTTHRBHTT
SCHEMBL18191924 0.92 HDAC1 (0.47) MEN1KMT2AMAPTTHRBHTT
SCHEMBL18191928 0.92 HDAC1 (0.47) MEN1KMT2AMAPTTHRBHTT
SCHEMBL18191937 0.92 HDAC1 (0.47) MEN1KMT2AMAPTTHRBHTT
SCHEMBL3630767 0.90 HDAC3 (0.46) MEN1KMT2AMAPTTHRBHTT
SCHEMBL9075242 0.90 MEN1 (0.50) MEN1KMT2AMAPTTHRBHTT
SCHEMBL12527752 0.90 HDAC1 (0.49) MEN1KMT2AMAPTTHRBHTT

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 MEN1 2491/4885KMT2A 4828/4885MAPT 4774/4885
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof PLIN3, PLIN5, SLC27A1 MEN1 2233/4885KMT2A 4607/4885MAPT 4405/4885

“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.