SCHEMBL13754051

SCHEMBL13754051

C=CC(O[Si](CC)(CC)CC)c1cc2ccccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ TERT O14746 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DAO P14920 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
SCHEMBL13754062 0.74 IDO1 (0.37) KMT2ATERTMCL1MAPT
SCHEMBL28360338 0.74 MCL1 (0.46) KMT2AMCL1DAO
SCHEMBL5317775 0.74 LMNA (0.34) KMT2AALDH1A1MAPT
SCHEMBL5314215 0.72 UGT2B7 (0.40) KMT2A
SCHEMBL13760820 0.71 MCL1 (0.47) KMT2ATERTMCL1GRIN2DGRIN3B
SCHEMBL21795440 0.69 KMT2A (0.50) KMT2ATERTMCL1ALDH1A1MAPT
SCHEMBL28360301 0.68 MCL1 (0.44) KMT2ATERTMCL1ALDH1A1MAPT
SCHEMBL5313188 0.67 ESR1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9887744 0.66 KMT2A (0.55) KMT2ATERTMCL1ALDH1A1MAPT
SCHEMBL21638930 0.66 KMT2A (0.41) KMT2ATERTMCL1ALDH1A1MAPT

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-8314246-B2 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-20 — — US disclosed
US-20090216025-A1 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-08-27 — — 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-20090216025-A1 Catalytic reactions involving alkenes ADH5, ADH1C, ADH1A KMT2A 1499/4885TERT 175/4885MCL1 3293/4885

“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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