SCHEMBL3630184

SCHEMBL3630184

CCCCCCCCCCCCC(CCC)C(=O)OCCC(C[N+](C)(C)C)OP(=O)([O-])O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC25A20 O43772 3/20 0.38
TP53 P04637 3/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
SMPD1 P17405 3/20 0.38
FABP3 P05413 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL3631222 0.93 SLC25A20 (0.36) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL3631227 0.93 SLC25A20 (0.36) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL4638950 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL2693658 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL905579 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL2695073 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL60425 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL418811 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL60847 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1
SCHEMBL62053 0.85 SMPD1 (0.47) SLC25A20TP53TSHRCYP2D6MEN1

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 SLC25A20 843/4885TP53 442/4885TSHR 2714/4885
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof PLIN3, PLIN5, SLC27A1 SLC25A20 770/4885TP53 250/4885TSHR 3056/4885

“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.