SCHEMBL889253

SCHEMBL889253

CCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCc1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
DGKA P23743 1/20 0.42
DNM1 Q05193 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.39
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL12792475 1.00 THRA (0.44) THRATHRBDGKADNM1ALDH1A1
SCHEMBL889272 0.90 THRA (0.34) THRATHRBDGKADNM1ALDH1A1
SCHEMBL10820626 0.83 FAAH (0.43) THRATHRBALDH1A1KMT2ANAAA
SCHEMBL889325 0.81 DGKA (0.42) DGKAALDH1A1MEN1GAAKMT2A
SCHEMBL2999894 0.80 NAAA (0.47) DGKAALDH1A1NAAALMNAFAAH
SCHEMBL3005332 0.80 NAAA (0.47) DGKAALDH1A1NAAALMNAFAAH
SCHEMBL3005045 0.80 NAAA (0.47) DGKAALDH1A1NAAALMNAFAAH
SCHEMBL12847847 0.80 HPRT1 (0.39) ALDH1A1MEN1KMT2ALMNA
SCHEMBL12792322 0.79 CASP2 (0.44) DNM1ALDH1A1MEN1KMT2ANAAA
SCHEMBL12791900 0.79 CASP2 (0.44) DNM1ALDH1A1MEN1KMT2ANAAA

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-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 THRA 3682/4885THRB 4260/4885DGKA 1291/4885

“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.