SCHEMBL10010141

SCHEMBL10010141

CCCCC/C=C\C/C=C\CCCCCCCCOCC(OCCCCCCCC/C=C\C/C=C\CCCCC)C(O)CCCCCCCC/C=C\C/C=C\CCCCC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46

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
SCHEMBL10010145 1.00 ALDH1A1 (0.54) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL26305201 0.96 LPAR1 (0.49) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL19019736 0.89 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL8636549 0.87 USP2 (0.53) LPAR1LPAR3
SCHEMBL7714993 0.84 LPAR1 (0.51) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL898772 0.84 TRPV1 (0.49) ALDH1A1CNR1CNR2
SCHEMBL24710793 0.83 ALDH1A1 (0.59) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL903074 0.83 USP2 (0.54) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL17744012 0.83 USP2 (0.54) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL17744011 0.83 USP2 (0.54) ALDH1A1CNR1CNR2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288146-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2014-09-25 US disclosed
US-20140288146-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2014-09-25 US disclosed
US-20140288146-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2014-09-25 US disclosed
US-8466122-B2 Trialkyl cationic lipids and methods of use thereof PROTIVA BIOTHERAPEUTICS, INC. (CA) 2013-06-18 US disclosed
US-8466122-B2 Trialkyl cationic lipids and methods of use thereof PROTIVA BIOTHERAPEUTICS, INC. (CA) 2013-06-18 US disclosed
US-8466122-B2 Trialkyl cationic lipids and methods of use thereof PROTIVA BIOTHERAPEUTICS, INC. (CA) 2013-06-18 US disclosed
US-20120172411-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2012-07-05 US disclosed
US-20120172411-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2012-07-05 US disclosed
US-20120172411-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2012-07-05 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 (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-20140288146-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF NPC1L1, LDLR, CETP ALDH1A1 4746/4885CNR1 4580/4885CNR2 4625/4885
US-20120172411-A1 NOVEL TRIALKYL CATIONIC LIPIDS AND METHODS OF USE THEREOF NPC1L1, LDLR, CETP ALDH1A1 4746/4885CNR1 4580/4885CNR2 4625/4885

“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.