SCHEMBL18867006

SCHEMBL18867006

CCCCCCCCN1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.57
PTGS2 P35354 3/20 0.57
MGLL Q99685 3/20 0.57
FAAH O00519 1/20 0.57
CDC25A P30304 8/20 0.47
CES1 P23141 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 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
SCHEMBL18431725 1.00 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL13464705 1.00 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL19069240 1.00 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL11476165 0.91 ALDH1A1 (0.50) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL240018 0.91 ALDH1A1 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10703043 0.91 ALDH1A1 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15975537 0.91 ALDH1A1 (0.54) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14377618 0.88 ALDH1A1 (0.56) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL11032700 0.86 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL7153652 0.85 MGLL (0.60) PTGS1PTGS2MGLLFAAHCDC25A

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-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
CN-102382028-A Maleimide compound, its preparation and application UNIV ZHEJIANG TECHNOLOGY 2012-03-21 CN 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-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC PTGS1 2210/4885PTGS2 2844/4885MGLL 192/4885

“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.