SCHEMBL13485630

SCHEMBL13485630

CN1/C(=C/C=C(\C#N)C(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.33
▸ KDM4E B2RXH2 6/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ LMNA P02545 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ATM Q13315 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ DNM1 Q05193 2/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17445966 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL12758194 0.74 HPGD (0.45) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL2806467 0.69 LMNA (0.40) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL2806471 0.69 LMNA (0.40) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL21128882 0.68 MEN1 (0.34) ALDH1A1KDM4EKMT2AHPGDMAPT
Malonic Acid SCHEMBL2415013 0.67 LMNA (0.39) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL12101244 0.67 MEN1 (0.38) ALDH1A1KMT2AHPGDMAPTMEN1
SCHEMBL14221248 0.66 MAPT (0.32) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL13398977 0.66 — —
SCHEMBL1576555 0.66 LMNA (0.37) ALDH1A1KDM4EKMT2AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9068080-B2 Merocyanine derivatives BASF SE (DE) 2015-06-30 — — US disclosed
US-9068080-B2 Merocyanine derivatives BASF SE (DE) 2015-06-30 — — US disclosed
US-20100035839-A1 MEROCYANINE DERIVATIVES CIBA CORPORATION (US) 2010-02-11 — — 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-20100035839-A1 MEROCYANINE DERIVATIVES C1R, MC5R, C2CD5 ALDH1A1 1702/4885KDM4E 3106/4885KMT2A 3949/4885

“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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