SCHEMBL3236971

SCHEMBL3236971

CCCCCCCCCCOCC(O)CCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
CSNK1E P49674 1/20 0.40
NPC1 O15118 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
KCNH2 Q12809 1/20 0.40
TLR2 O60603 2/20 0.39
MAPT P10636 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3244717 0.85 TLR2 (0.45) KCNH2TLR2
SCHEMBL3242956 0.85 TLR2 (0.45) KCNH2TLR2
SCHEMBL3239027 0.85 TLR2 (0.45) KCNH2TLR2
SCHEMBL3239477 0.85 TLR2 (0.45) KCNH2TLR2
SCHEMBL3237159 0.85 TLR2 (0.45) KCNH2TLR2
SCHEMBL13609387 0.82 POLB (0.57) USP2HTTPOLBCYP1A2CYP2C19
SCHEMBL28743806 0.82 POLB (0.57) USP2HTTPOLBCYP1A2CYP2C19
SCHEMBL10801219 0.80 USP2 (0.50) USP2HTTCYP1A2CYP2C19CYP3A4
SCHEMBL15338272 0.80 ALDH1A1 (0.61) USP2HTTPOLBCYP1A2CYP2C19
SCHEMBL24339863 0.79 USP2 (0.56) USP2HTTCYP1A2CYP2C19CYP3A4

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 14 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 disclosed
US-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-29 US disclosed
US-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-29 US disclosed
WO-2010030739-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO 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-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-11 US disclosed
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-11 US disclosed
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 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-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 USP2 4459/4885HTT 1006/4885POLB 3421/4885
US-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF LIPA, LIPG, LIPC USP2 1100/4885HTT 2221/4885POLB 3316/4885
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 USP2 4459/4885HTT 1006/4885POLB 3421/4885
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 USP2 4459/4885HTT 1006/4885POLB 3421/4885

“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.