SCHEMBL2511661

SCHEMBL2511661

CCCCCCCCCCCCCC/C=C\C(CO[Si](C)(C)C(C)(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 3/20 0.34
▸ CES1 P23141 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ POLM Q9NP87 1/20 0.34
▸ POLK Q9UBT6 1/20 0.34
▸ POLL Q9UGP5 1/20 0.34
▸ POLH Q9Y253 1/20 0.34
▸ ASAH1 Q13510 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ ALDH3A1 P30838 1/20 0.33

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
SCHEMBL2511659 1.00 CDC25A (0.34) CDC25ACES1NR1H2NR1H3POLM
SCHEMBL12197596 1.00 CDC25A (0.34) CDC25ACES1NR1H2NR1H3POLM
SCHEMBL2511664 1.00 CDC25A (0.34) CDC25ACES1NR1H2NR1H3POLM
SCHEMBL2511662 1.00 CDC25A (0.34) CDC25ACES1NR1H2NR1H3POLM
SCHEMBL2508723 0.91 — —
SCHEMBL2508721 0.91 — —
SCHEMBL2508717 0.91 — —
SCHEMBL2508718 0.91 — —
SCHEMBL20040523 0.82 TDP1 (0.35) ALDH1A1
SCHEMBL2507322 0.82 L3MBTL1 (0.40) NR1H3

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 4 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-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-10-06 — — 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-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS PAICS, COASY, CYP51A1 CDC25A 1434/4885CES1 47/4885NR1H2 1209/4885

“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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