SCHEMBL13529459

SCHEMBL13529459

CC[Si](CC)(CC)c1nccn1CCCOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TGFBR1 P36897 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ P2RX3 P56373 8/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ EPHA2 P29317 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL11920854 0.83 KMT2A (0.46) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL7456661 0.71 L3MBTL1 (0.42) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL24553986 0.70 MEN1 (0.47) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL23703927 0.70 KDM4C (0.51) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL7460409 0.69 MEN1 (0.46) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL23116096 0.69 MEN1 (0.44) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL11024894 0.69 MEN1 (0.54) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL29832042 0.69 TGFBR1 (0.56) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL15597366 0.69 CA12 (0.42) MEN1KMT2ATGFBR1KDM4CNPC1
SCHEMBL5710973 0.69 MEN1 (0.48) MEN1KMT2ATGFBR1KDM4CNPC1

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN MEN1 914/4885KMT2A 2630/4885TGFBR1 3611/4885

“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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