SCHEMBL13754062

SCHEMBL13754062

C=C(Cc1ccccc1)C(O[Si](CC)(CC)CC)c1cc2ccccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.37
▸ MCL1 Q07820 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TERT O14746 1/20 0.33
▸ ADRA2A P08913 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
SCHEMBL13760663 0.77 MCL1 (0.42) IDO1MCL1KMT2AMEN1MAPT
SCHEMBL13754051 0.74 KMT2A (0.38) MCL1KMT2AMAPTTERT
SCHEMBL21795440 0.65 KMT2A (0.50) MCL1KMT2AMEN1MAPTTERT
SCHEMBL31291305 0.63 MCL1 (0.53) MCL1KMT2AMEN1MAPTTERT
SCHEMBL11600616 0.63 MCL1 (0.53) MCL1KMT2AMEN1MAPTTERT
SCHEMBL13754063 0.62 ALDH1A1 (0.40) —
SCHEMBL9887744 0.62 KMT2A (0.55) MCL1KMT2AMEN1MAPTTERT
SCHEMBL21638907 0.61 IDO1 (0.47) IDO1MCL1KMT2AMEN1MAPT
SCHEMBL13760820 0.61 MCL1 (0.47) MCL1KMT2AMEN1MAPTTERT
SCHEMBL12260539 0.61 KMT2A (0.53) MCL1KMT2AMEN1MAPTTERT

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 IDO1 278/4885MCL1 3293/4885KMT2A 1499/4885

“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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