SCHEMBL824771

SCHEMBL824771

C=C[Si](C)(C=C)CCCNc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.39
KCNH3 Q9ULD8 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL824782 0.86 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL824775 0.82 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL18417832 0.80 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL10400318 0.75 MAPT (0.57) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL27885894 0.74 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL49467 0.74 MAPT (0.55) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL974893 0.74 MAPT (0.55) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL24795035 0.72 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
Hydrochloric Acid SCHEMBL31327345 0.72 MAPT (0.53) ALDH1A1MAPTL3MBTL1KCNH3CYP1A2
SCHEMBL4970157 0.72 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1KCNH3HDAC3

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-8143359-B2 Organic silicone compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-27 US disclosed
US-20100160588-A1 ORGANIC SILICONE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-24 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-20100160588-A1 ORGANIC SILICONE COMPOUND OR10J3, FOXO1, OR51E2 ALDH1A1 2040/4885MAPT 3529/4885L3MBTL1 799/4885

“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.