SCHEMBL2359680

SCHEMBL2359680

CCCCCCCCCCCCCC/C=C\CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.50
▸ TK1 P04183 1/20 0.48
▸ CES1 P23141 2/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ FAAH O00519 2/20 0.45
▸ ASAH1 Q13510 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALDH2 P05091 1/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL2359683 1.00 MGLL (0.50) MGLLTK1CES1CDC25ANR1H2
SCHEMBL8008712 0.88 MGLL (0.62) MGLLCES1CDC25AFAAHALDH1A1
SCHEMBL8008707 0.88 MGLL (0.62) MGLLCES1CDC25AFAAHALDH1A1
SCHEMBL30958386 0.85 MGLL (0.61) MGLLCES1CDC25AFAAHALDH1A1
SCHEMBL12664538 0.85 MGLL (0.61) MGLLCES1CDC25AFAAHALDH1A1
SCHEMBL28985362 0.83 MGLL (0.55) MGLLCES1CDC25AFAAHALDH1A1
SCHEMBL4468251 0.81 CASP3 (0.60) ALDH1A1ALDH3A1DRD3
SCHEMBL8950475 0.81 CASP3 (0.60) ALDH1A1ALDH3A1DRD3
SCHEMBL4476083 0.81 CASP3 (0.60) ALDH1A1ALDH3A1DRD3
SCHEMBL28660875 0.81 NR1H2 (0.48) MGLLCES1CDC25ANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534140-B1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES BOSTON COLLEGE (US) 2018-04-11 — — EP disclosed
US-8598400-B2 Efficient methods for Z- or cis-selective cross-metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-12-03 — — US disclosed
US-8552242-B2 — — 2013-10-08 — — US disclosed
US-8552242-B2 — — 2013-10-08 — — US disclosed
EP-2534140-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS Trustees of Boston College (US) 2012-12-19 — — EP disclosed
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-10-06 — — US disclosed
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-10-06 — — US disclosed
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-10-06 — — US disclosed
WO-2011097642-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-08-11 — — WO 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-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS PAICS, COASY, CYP51A1 MGLL 1288/4885TK1 1249/4885CES1 47/4885

“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.

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