SCHEMBL12709838

SCHEMBL12709838

CC(C)(C)[Si](C)(C)OCCn1cccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ DGAT1 O75907 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL25180557 0.82 DUT (0.45) DUTALDH1A1NPC1RAB9ALMNA
SCHEMBL12709843 0.78 NPC1 (0.40) DUTNPC1RAB9AMAPTL3MBTL1
SCHEMBL3996666 0.77 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ATRIM24TRIM33
SCHEMBL27089426 0.77 NPC1 (0.55) DUTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL6365321 0.76 APP (0.39) DUTALDH1A1NPC1RAB9AMAPT
SCHEMBL6365320 0.76 APP (0.39) DUTALDH1A1NPC1RAB9AMAPT
SCHEMBL14901265 0.74 DUT (0.42) DUTDGAT1MEN1KMT2A
SCHEMBL24434777 0.74 DUT (0.42) DUTALDH1A1NPC1RAB9AMAPT
SCHEMBL29276413 0.74 DUT (0.45) DUTNPC1RAB9ADGAT1LMNA
SCHEMBL25465578 0.74 DUT (0.45) DUTNPC1RAB9ADGAT1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 — — EP disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 — — US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 — — US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 — — US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 — — US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 — — 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 (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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 DUT 609/4885ALDH1A1 2428/4885NPC1 1286/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 DUT 190/4885ALDH1A1 1970/4885NPC1 2094/4885

“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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