SCHEMBL16201901

SCHEMBL16201901

CCCCCCCCCCC[C@@H](C)CC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
ZDHHC7 Q9NXF8 1/20 0.50
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FAAH O00519 4/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 3/20 0.45
USP2 O75604 1/20 0.45
BIRC2 Q13490 1/20 0.45
GPR84 Q9NQS5 6/20 0.44
POLB P06746 1/20 0.43
POLA1 P09884 1/20 0.43
ABCB1 P08183 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
SCHEMBL28851524 1.00 ACE2 (0.52) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL28333296 1.00 ACE2 (0.52) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL2254424 1.00 ACE2 (0.52) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL13610030 0.98 ACE2 (0.48) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL10682889 0.92 CA2 (0.47) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL31011228 0.92 CA2 (0.47) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL14651155 0.92 CA2 (0.47) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL31508747 0.91 ACE2 (0.47) ACE2ZDHHC7MEN1HPGDRECQL
SCHEMBL27557979 0.86 CNR1 (0.51) HPGDFAAHCNR1CNR2
SCHEMBL16341622 0.85 ACE2 (0.52) ACE2ZDHHC7FAAHCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028649-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2018-02-01 US disclosed
US-9814772-B2 Synthetic glucopyranosyl lipid adjuvants INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2017-11-14 US disclosed
US-20170182155-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS INFECTIOUS DISEASE RES INST (US) 2017-06-29 US disclosed
US-9480740-B2 Synthetic glucopyranosyl lipid adjuvants INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2016-11-01 US disclosed
US-20140322268-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2014-10-30 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 (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-20140322268-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 ACE2 1201/4885ZDHHC7 804/4885MEN1 3263/4885
US-20180028649-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 ACE2 1174/4885ZDHHC7 835/4885MEN1 3305/4885
US-20170182155-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 ACE2 1201/4885ZDHHC7 804/4885MEN1 3263/4885

“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.