Sugi Predict

Sugi Predict / Compounds / SCHEMBL8068602

SCHEMBL8068602

SCHEMBL8068602

CC(=O)CCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TBXAS1 P24557 4/20 0.33
▸ CES2 O00748 2/20 0.32
▸ CES1 P23141 2/20 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
SCHEMBL17188679 0.98 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1HDAC3HDAC4
SCHEMBL19418020 0.98 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1HDAC3HDAC4
SCHEMBL19503279 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHDAC6LMNATDP1
SCHEMBL15684234 0.88 HDAC3 (0.45) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL17679348 0.84 — —
SCHEMBL15121071 0.84 HDAC3 (0.42) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL15159749 0.84 MAPT (0.41) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL18101205 0.83 TSHR (0.32) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL17762561 0.82 FAAH (0.46) ALDH1A1MAPTLMNATBXAS1
SCHEMBL27102276 0.82 MAPT (0.41) ALDH1A1MAPTHDAC3HDAC4HDAC1

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-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 — — US disclosed
US-20110009392-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-13 — — US disclosed
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 — — WO 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 (2 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-20110009392-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3991/4885MAPT 317/4885L3MBTL1 2832/4885
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ALDH1A1 991/4885MAPT 2198/4885L3MBTL1 4705/4885

“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.