SCHEMBL2321358

SCHEMBL2321358

CC(C)Oc1c[c]c(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.41
KMT2A Q03164 3/20 0.39
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
P2RX3 P56373 1/20 0.35
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
NOTUM Q6P988 1/20 0.34
MAP4K4 O95819 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP1A2 P05177 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
SCHEMBL900115 0.78 DRD1 (0.37) KMT2AALDH1A1POLBGAALMNA
SCHEMBL8267 0.77
SCHEMBL1551048 0.76 ALDH1A3 (0.42) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL3061700 0.76 ALDH1A3 (0.42) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL17203715 0.74 KMT2A (0.44) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL1991071 0.74 ALDH1A3 (0.41) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL125543 0.72 ALDH1A3 (0.64) ALDH1A3KMT2APARP10ALDH1A1POLB
SCHEMBL25181923 0.72 KIF11 (0.33) KMT2AMEN1CYP3A4CYP1A2CYP2D6
SCHEMBL1979851 0.72 NQO1 (0.52) KMT2APARP10ALDH1A1KDM4EHPGD
SCHEMBL8047364 0.72 ALDH1A3 (0.39) ALDH1A3KMT2APARP10ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-05-18 US 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
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 (3 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-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING FABP5, FABP1, FABP4 ALDH1A3 250/4885KMT2A 4517/4885PARP10 1669/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A ALDH1A3 531/4885KMT2A 3652/4885PARP10 1972/4885
US-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.