SCHEMBL3489634

SCHEMBL3489634

CCCCC/C=C\C/C=C\CCCCCCCCOCC(O)CN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.44
P2RY10 O00398 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43

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
SCHEMBL3489641 1.00 USP2 (0.47) USP2ALDH1A1KDM4EALOX15HTT
SCHEMBL3489140 0.87 ALDH1A1 (0.43) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL2840067 0.87 ALDH1A1 (0.43) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL3263127 0.87 CNR1 (0.54) USP2ALDH1A1CNR1CNR2
SCHEMBL3263123 0.87 CNR1 (0.54) USP2ALDH1A1CNR1CNR2
SCHEMBL9751080 0.85 ALDH1A1 (0.57) USP2ALDH1A1KDM4EALOX15HTT
SCHEMBL2841053 0.85 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL3238670 0.85 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL19617734 0.85 ALDH1A1 (0.53) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL16371200 0.85 ALDH1A1 (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-29 US claimed
US-20100099738-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-22 US claimed
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-11 US claimed
WO-2009129395-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO claimed
US-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-29 US disclosed
US-20100099738-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-22 US disclosed
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-11 US disclosed
WO-2009129395-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 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 (3 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 USP2 1100/4885ALDH1A1 1734/4885KDM4E 4073/4885
US-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 USP2 4459/4885ALDH1A1 4724/4885KDM4E 4752/4885
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF LIPA, LIPG, LIPC USP2 1100/4885ALDH1A1 1734/4885KDM4E 4073/4885

“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.