SCHEMBL9927889

SCHEMBL9927889

CCCCCCCC/C=C\CCCCCCCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.46
MGLL Q99685 1/20 0.46
EPHX2 P34913 2/20 0.42
PRKCA P17252 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DUSP3 P51452 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL9927884 0.96 MGLL (0.52) FAAHMGLLLMNAMAPTALOX15
SCHEMBL22919640 0.92 NAAA (0.44) PRKCALMNAMAPTNPSR1
SCHEMBL7278773 0.92 NAAA (0.44) PRKCALMNAMAPTNPSR1
SCHEMBL21261912 0.90 LPAR2 (0.40) FAAHMGLLLMNAMAPTALOX15
SCHEMBL2037671 0.90 NAAA (0.42) PRKCALMNA
SCHEMBL27093698 0.89 FAAH (0.38) FAAHMGLLEPHX2PRKCA
SCHEMBL13114348 0.88 MGLL (0.47) FAAHMGLLLMNAMAPTALOX15
Bicarbonate SCHEMBL27875196 0.87 NAAA (0.40) PRKCALMNA
SCHEMBL12903327 0.86 NAAA (0.40) PRKCALMNAMAPT
SCHEMBL13541624 0.85 ALDH1A1 (0.42) LMNACYP1A2POLBCYP2C9CYP2C19

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-20120148595-A1 GABA-LINKED ANTHRACYCLINE-LIPID CONJUGATES LUITPOLD PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120148595-A1 GABA-LINKED ANTHRACYCLINE-LIPID CONJUGATES LUITPOLD PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2010104585-A1 GABA-LINKED ANTHRACYCLINE-LIPID CONJUGATES LUITPOLD PHARMACEUTICALS, INC. (US) 2010-09-16 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 (1 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-20120148595-A1 GABA-LINKED ANTHRACYCLINE-LIPID CONJUGATES GABRB2, GABRB3, GABRB1 FAAH 323/4885MGLL 337/4885EPHX2 1004/4885

“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.