SCHEMBL16201902

SCHEMBL16201902

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.55
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
GPR84 Q9NQS5 7/20 0.47
CA1 P00915 2/20 0.45
FFAR1 O14842 2/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
TP53 P04637 1/20 0.43
CA2 P00918 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL1410858 1.00 ACE2 (0.55) ACE2ALDH1A1TSHRGPR84CA1
SCHEMBL1410439 0.98 ACE2 (0.52) ACE2ALDH1A1TSHRGPR84CA1
SCHEMBL1410690 0.91 ALDH1A1 (0.46) ACE2ALDH1A1TSHRGPR84CA1
SCHEMBL9176733 0.91 ALDH1A1 (0.46) ACE2ALDH1A1TSHRGPR84CA1
SCHEMBL495224 0.83 ALDH1A1 (0.50) ACE2ALDH1A1TSHRFFAR1TP53
SCHEMBL495837 0.83 ALDH1A1 (0.50) ACE2ALDH1A1TSHRFFAR1TP53
SCHEMBL494115 0.83 ALDH1A1 (0.50) ACE2ALDH1A1TSHRFFAR1TP53
SCHEMBL495367 0.83 ALDH1A1 (0.50) ACE2ALDH1A1TSHRFFAR1TP53
SCHEMBL495207 0.83 ALDH1A1 (0.50) ACE2ALDH1A1TSHRFFAR1TP53
SCHEMBL495635 0.83 ALDH1A1 (0.50) ACE2ALDH1A1TSHRFFAR1TP53

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 6 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-8916133-B2 Fluorinated 2-amino-4-(benzylamino)phenylcarbamate derivatives SCIFLUOR LIFE SCIENCES, LLC (US) 2014-12-23 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 1201/4885ALDH1A1 3976/4885TSHR 1791/4885
US-20180028649-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 ACE2 1174/4885ALDH1A1 3967/4885TSHR 1803/4885
US-20170182155-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 ACE2 1201/4885ALDH1A1 3976/4885TSHR 1791/4885

“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.