SCHEMBL1320760

SCHEMBL1320760

COc1cc(/C=C/C(=O)c2ccccc2)ccc1/C=C/C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
MAPT P10636 4/20 0.61
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
BCHE P06276 3/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 2/20 0.54
ABCG2 Q9UNQ0 2/20 0.54
MEN1 O00255 1/20 0.54
TNFRSF1A P19438 2/20 0.51
CYP3A4 P08684 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CXCL12 P48061 1/20 0.51
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL1320762 1.00 NPC1 (0.61) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL31233027 0.86 NPC1 (0.70) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1322133 0.86 NPC1 (0.70) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1322132 0.86 NPC1 (0.70) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1064874 0.82 KMT2A (0.51) MAPTALDH1A1SMN1; SMN2KMT2AABCG2
SCHEMBL1064876 0.82 KMT2A (0.51) MAPTALDH1A1SMN1; SMN2KMT2AABCG2
SCHEMBL1321492 0.82 NPC1 (0.65) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1321491 0.82 NPC1 (0.65) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1321476 0.81 HDAC3 (0.67) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1320561 0.81 HDAC3 (0.67) NPC1MAPTRAB9AALDH1A1SMN1; SMN2

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-1814850-B9 NEW HISTONE DEACETYLASES INHIBITORS DAC SRL (IT) 2015-02-25 EP disclosed
EP-1814850-B1 NEW HISTONE DEACETYLASES INHIBITORS DAC SRL (IT) 2013-07-03 EP disclosed
US-8058273-B2 Histone deacetylases inhibitors DAC S.R.L. (IT) 2011-11-15 US disclosed
US-7803800-B2 Histone deacetylases inhibitors DAC S.R.L. (IT) 2010-09-28 US disclosed
US-20100240660-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2010-09-23 US disclosed
US-20080096889-A1 Histone Deacetylases Inhibitors GENEXTRA S.P.A. (IT) 2008-04-24 US disclosed
EP-1814850-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2007-08-08 EP disclosed
WO-2006037761-A1 NEW HISTONE DEACETYLASES INHIBITORS DAC S.R.L. (IT) 2006-04-13 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-20100240660-A1 NEW HISTONE DEACETYLASES INHIBITORS HDAC1, HDAC3, HDAC11 NPC1 2600/4885MAPT 3303/4885RAB9A 2735/4885
US-20080096889-A1 Histone Deacetylases Inhibitors HDAC1, HDAC3, HDAC11 NPC1 2434/4885MAPT 3192/4885RAB9A 2918/4885

“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.