SCHEMBL3487520

SCHEMBL3487520

CCCCCC=CCC=CCCCCCCCCOCC(COCCCCCCCCC=CCC=CCCCCC)(OC)OC

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
FAAH O00519 1/20 0.46
PLA2G4B P0C869 1/20 0.46
MAPT P10636 1/20 0.46
PLA2G4A P47712 1/20 0.46
BLM P54132 1/20 0.46
MGLL Q99685 1/20 0.46
PLA2G4C Q9UP65 1/20 0.46
TRPV1 Q8NER1 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
SCHEMBL3487516 1.00 ALDH1A1 (0.46) ALDH1A1CNR1CNR2FAAHPLA2G4B
SCHEMBL2840059 0.84 CES1 (0.52) ALDH1A1MAPT
SCHEMBL6261092 0.82 ALDH1A1 (0.58) ALDH1A1CNR1CNR2TRPV1
SCHEMBL12474184 0.82 ALDH1A1 (0.58) ALDH1A1CNR1CNR2TRPV1
SCHEMBL29286069 0.81 LPAR1 (0.45) FAAHTRPV1
SCHEMBL18545973 0.81 ALDH1A1 (0.56) ALDH1A1CNR1CNR2TRPV1
SCHEMBL18546028 0.81 ALDH1A1 (0.56) ALDH1A1CNR1CNR2TRPV1
SCHEMBL18546025 0.81 ALDH1A1 (0.56) ALDH1A1CNR1CNR2TRPV1
SCHEMBL18546023 0.81 ALDH1A1 (0.56) ALDH1A1CNR1CNR2TRPV1
SCHEMBL15054267 0.81 ALDH1A1 (0.56) ALDH1A1CNR1CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
WO-2009129385-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 (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-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 ALDH1A1 4724/4885CNR1 3144/4885CNR2 2239/4885
US-20100055168-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.