SCHEMBL3665016

SCHEMBL3665016

COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
MAPK1 P28482 3/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALOX15 P16050 1/20 0.62
APEX1 P27695 1/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
CA7 P43166 2/20 0.61
CA12 O43570 1/20 0.61
CA14 Q9ULX7 1/20 0.61
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.53
EPHX2 P34913 1/20 0.53

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
SCHEMBL78643 1.00 MAPT (0.64) MAPTMAPK1ALDH1A1LMNATDP1
Fluoride SCHEMBL31538992 0.97 MAPT (0.62) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL2608411 0.93 MAPT (0.58) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL9729672 0.93 ALDH1A1 (0.65) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL16281499 0.93 MAPT (0.58) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL1542267 0.91 MAPT (0.61) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL6889053 0.89 ALDH1A1 (0.73) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL5608912 0.87 MAPT (0.71) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL5285127 0.87 ALDH1A1 (0.57) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL30445249 0.87 MAPT (0.53) MAPTMAPK1ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD MAPT 1124/4885MAPK1 53/4885ALDH1A1 1680/4885

“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.