SCHEMBL1551048

SCHEMBL1551048

Cc1[c]cc(OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
KMT2A Q03164 3/20 0.41
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.37
GLA P06280 1/20 0.36
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
NLRP1 Q9C000 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1067320 0.80 DRD1 (0.37) KMT2AALDH1A1POLBKDM4EHPGD
SCHEMBL3061700 0.77 ALDH1A3 (0.42) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL458125 0.76
SCHEMBL1991071 0.76 ALDH1A3 (0.41) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL17203715 0.76 KMT2A (0.44) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL2321358 0.76 ALDH1A3 (0.41) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL125543 0.74 ALDH1A3 (0.64) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL8047364 0.74 ALDH1A3 (0.39) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL2970309 0.71 NQO1 (0.54) PARP10ALDH1A1KDM4EGAAMAPT
SCHEMBL2325392 0.71 KIF11 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP claimed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP claimed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO claimed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3265455-A1 CHEMICAL PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF Novartis AG (CH) 2018-01-10 EP disclosed
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
US-20110207733-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-08-25 US disclosed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
EP-2312946-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-04-27 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO disclosed
WO-2010019393-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 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 (5 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-20110207733-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE TYMP, BACE1, TYMS ALDH1A3 3287/4885KMT2A 2736/4885PARP10 443/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP ALDH1A3 2703/4885KMT2A 1380/4885PARP10 2490/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A ALDH1A3 531/4885KMT2A 3652/4885PARP10 1972/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP ALDH1A3 2703/4885KMT2A 1380/4885PARP10 2490/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A ALDH1A3 531/4885KMT2A 3652/4885PARP10 1972/4885

“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.