SCHEMBL889132

SCHEMBL889132

CCCCCCCCCCOC(=O)CCC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.60
DGKA P23743 1/20 0.60
HTR2C P28335 1/20 0.57
DNM1 Q05193 1/20 0.54
RAD52 P43351 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
FAAH O00519 1/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
PAM P19021 2/20 0.46

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
SCHEMBL889141 1.00 NAAA (0.60) NAAADGKAHTR2CDNM1RAD52
SCHEMBL889194 1.00 NAAA (0.60) NAAADGKAHTR2CDNM1RAD52
SCHEMBL889178 1.00 NAAA (0.60) NAAADGKAHTR2CDNM1RAD52
SCHEMBL889198 1.00 NAAA (0.60) NAAADGKAHTR2CDNM1RAD52
SCHEMBL12591201 0.92 DGKA (0.53) NAAADGKAHTR2CDNM1RAD52
SCHEMBL15693101 0.92 NAAA (0.47) NAAADGKAHTR2CDNM1RAD52
SCHEMBL18177234 0.89 DGKA (0.67) NAAADGKAHTR2CDNM1RAD52
SCHEMBL19399330 0.89 DGKA (0.67) NAAADGKAHTR2CDNM1RAD52
SCHEMBL18177236 0.89 DGKA (0.67) NAAADGKAHTR2CDNM1RAD52
SCHEMBL18195611 0.89 DGKA (0.67) NAAADGKAHTR2CDNM1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-12 US disclosed
US-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-12 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-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE FCGRT, MYD88, C3AR1 NAAA 789/4885DGKA 1291/4885HTR2C 978/4885

“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.