SCHEMBL19115281

SCHEMBL19115281

CCCCCC/C=C\CCC[C@H](O)CC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.61
SOAT1 P35610 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
KDM4E B2RXH2 2/20 0.56
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
CNR1 P21554 1/20 0.53
GPR84 Q9NQS5 4/20 0.51
TERT O14746 3/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
PTPN1 P18031 2/20 0.47
PPARG P37231 2/20 0.47

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
SCHEMBL21654255 1.00 FAAH (0.61) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL10704633 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL8171084 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL8178632 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL8171086 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL6800461 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL8177703 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL8179521 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL6802183 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT
SCHEMBL6802390 0.86 GPR84 (0.68) FAAHFFAR1FFAR4GPR84MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198003-A1 DEFINED ENZYMATIC SYNTHESIS OF LIPID A ANALOGS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-07-13 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 (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-20170198003-A1 DEFINED ENZYMATIC SYNTHESIS OF LIPID A ANALOGS COASY, LYPLA2, LYPLA1 FAAH 555/4885SOAT1 33/4885CYP1A2 406/4885

“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.