SCHEMBL21158545

SCHEMBL21158545

CCCCCCC(C)(CC)N1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.38
FAAH O00519 3/20 0.38
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 2/20 0.33
GGPS1 O95749 6/20 0.32
FDPS P14324 8/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL21577840 0.98 FAAH (0.36) MGLLFAAHKMT2ASMN1; SMN2ALOX5
SCHEMBL20930969 0.93 MGLL (0.40) MGLLFAAHKMT2ASMN1; SMN2ALOX5
SCHEMBL19704405 0.93 MGLL (0.40) MGLLFAAHKMT2ASMN1; SMN2ALOX5
SCHEMBL21158066 0.93 MGLL (0.40) MGLLFAAHKMT2ASMN1; SMN2ALOX5
SCHEMBL20616617 0.91 MGLL (0.38) MGLLFAAHKMT2ASMN1; SMN2ALOX5
SCHEMBL21577922 0.89 MGLL (0.38) MGLLFAAHKMT2ASMN1; SMN2ALOX5
SCHEMBL19803193 0.85
SCHEMBL24916383 0.81 MGLL (0.40) MGLLFAAHKMT2ASMN1; SMN2ALOX5
SCHEMBL10316631 0.81 TSHR (0.47) MGLLFAAHCYP1A2ALDH1A1
SCHEMBL14459659 0.80 LMNA (0.31)

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-20190185507-A1 Sofosbuvir Derivatives for the Treatment of Hepatitis C SANDOZ AG (CH) 2019-06-20 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-20190185507-A1 Sofosbuvir Derivatives for the Treatment of Hepatitis C HAVCR2, ZC3HAV1, GTF3C4 MGLL 2205/4885FAAH 1622/4885KMT2A 3906/4885

“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.