SCHEMBL1160244

SCHEMBL1160244

CCOC(=O)C(=O)C1CCc2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
PTGS2 P35354 2/20 0.51
ALDH1A1 P00352 8/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 6/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL31650126 1.00 ACHE (0.51) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL2919195 0.86 MAPT (0.51) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL947365 0.86 ALDH1A1 (0.55) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL29683518 0.86 ALDH1A1 (0.55) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL31650430 0.83 ALDH1A1 (0.46) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL14532844 0.83 CYP26A1 (0.48) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL5027897 0.82 ALDH1A1 (0.45) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL31650408 0.82 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHPGDHSD17B10
SCHEMBL30759564 0.82 MAPT (0.45) ACHEPTGS2ALDH1A1LMNAMAPT
SCHEMBL27120697 0.82 MAPT (0.45) ACHEPTGS2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 EP disclosed
EP-2459551-A1 DIHYDROBENZOINDAZOLES MSD Oss B.V. (NL) 2012-06-06 EP disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 WO disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 ACHE 3217/4885PTGS2 2/4885ALDH1A1 139/4885
US-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 ACHE 4836/4885PTGS2 2830/4885ALDH1A1 54/4885

“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.