SCHEMBL3244647

SCHEMBL3244647

CCCCCC=CCC=CCCCCCCCCOCC(CCN(C)C)OCCCCCCCCC=CCC=CCCCCC

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
LPAR1 Q92633 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45

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
SCHEMBL246064 1.00 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL12957711 1.00 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL12841669 1.00 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL11913767 0.97 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL12769198 0.97 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL12960143 0.97 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL12957786 0.97 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL11913757 0.97 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL24493616 0.96 ALDH1A1 (0.51) ALDH1A1CNR1CNR2LPAR1LPAR3
Hydrochloric Acid SCHEMBL1263206 0.95 ALDH1A1 (0.48) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099738-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-22 US claimed
US-20100076055-A1 Cationic Lipids and Uses Thereof ABBOTT LABORATORIES (US) 2010-03-25 US claimed
WO-2010030739-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO claimed
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-11 US claimed
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US claimed
US-20100099738-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-22 US disclosed
US-20100076055-A1 Cationic Lipids and Uses Thereof ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
WO-2010030739-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO disclosed
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-11 US disclosed
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 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 (4 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-20100099738-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF LIPA, LIPG, LIPC ALDH1A1 1734/4885CNR1 3492/4885CNR2 3231/4885
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF LIPA, LIPG, LIPC ALDH1A1 1734/4885CNR1 3492/4885CNR2 3231/4885
US-20100076055-A1 Cationic Lipids and Uses Thereof LIPA, SGMS2, SGMS1 ALDH1A1 4724/4885CNR1 3144/4885CNR2 2239/4885
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 ALDH1A1 4724/4885CNR1 3144/4885CNR2 2239/4885

“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.