SCHEMBL2321653

SCHEMBL2321653

COC(=O)C(C)(C)C(=O)c1cc2c(c(OC)c1)OC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
IDO1 P14902 1/20 0.34
PLK1 P53350 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL644389 0.82 KMT2A (0.46) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL30708145 0.82 KMT2A (0.46) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL643938 0.80 CA12 (0.47) KMT2ALMNANPC1RAB9AIDO1
SCHEMBL25139946 0.80 KMT2A (0.55) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL30522176 0.80 KMT2A (0.55) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL25139948 0.77 KMT2A (0.47) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL25139713 0.77 KMT2A (0.47) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL30522177 0.73 KMT2A (0.42) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL30522178 0.73 KMT2A (0.42) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL5784863 0.72 KMT2A (0.40) KMT2ALMNANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 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-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A KMT2A 3652/4885LMNA 3980/4885NPC1 3945/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A KMT2A 3652/4885LMNA 3980/4885NPC1 3945/4885

“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.