SCHEMBL10149066

SCHEMBL10149066

CCOc1cc(C(C)C)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.48
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
TYR P14679 2/20 0.46
TOP2A P11388 1/20 0.46
RNASEH1 O60930 1/20 0.46
TRPA1 O75762 1/20 0.46
PTGS1 P23219 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
SCHEMBL29695965 0.87 GAA (0.52) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL14323987 0.87 GAA (0.52) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL10138860 0.87 GAA (0.59) ALDH1A1MAPTGAASMN1; SMN2MEN1
SCHEMBL14323986 0.87 GAA (0.52) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL11608732 0.86 ALDH1A1 (0.51) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL1758270 0.85 ALDH1A1 (0.61) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL4858393 0.85 TRPA1 (0.50) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL9652071 0.85 GAA (0.54) ALDH1A1MAPTGAASMN1; SMN2MEN1
SCHEMBL11569410 0.85 BCHE (0.58) ALDH1A1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL2202046 0.85 ALDH1A1 (0.54) ALDH1A1MAPTGAASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
US-8092976-B2 High resolution, reduced pattern falling, and good sensitivity and good dissolution contrast achieved even in EUV (extreme ultra violet) exposure, reduction in the line edge roughness FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-7718344-B2 microlithography; ultrafine processing of semiconductor using electron beam, X-ray or deep UV; high sensitivity, high resolution and good line edge roughness; suppression of vaporized outgas; a polystyrene with an acid-decomposable group; 10-tolyl-9-oxothioxanthenium nonafluorobutanesulfonate FUJIFILM CORPORATION (JP) 2010-05-18 US disclosed
US-20080085468-A1 microlithography; ultrafine processing of semiconductor using electron beam, X-ray or deep UV; high sensitivity, high resolution and good line edge roughness; suppression of vaporized outgas; a polystyrene with an acid-decomposable group; 10-tolyl-9-oxothioxanthenium nonafluorobutanesulfonate FUJIFILM CORPORATION (JP) 2008-04-10 US disclosed
US-20080081282-A1 RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-04-03 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-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 ALDH1A1 313/4885MAPT 3262/4885GAA 99/4885

“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.