SCHEMBL349351

SCHEMBL349351

COn1ccc2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TNF P01375 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CASP1 P29466 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
CASP7 P55210 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL10609598 0.78 TNF (0.43) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL29874726 0.75 TDP1 (0.46) KDM4ETNFALDH1A1GAALMNA
SCHEMBL2586177 0.74 TDP1 (0.40) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL123411 0.74 GAA (0.47) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL29705981 0.74 GAA (0.47) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL3971069 0.72 KDM4E (0.44) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL29614841 0.71 CDK4 (0.45) SMN1; SMN2HPGDMAPTALDH1A1KMT2A
SCHEMBL321199 0.71 CDK4 (0.45) SMN1; SMN2HPGDMAPTALDH1A1KMT2A
SCHEMBL3114855 0.71 KDM4E (0.36) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL3114852 0.71 KDM4E (0.36) KDM4EPDE4APDE4BPDE4CPDE4D

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
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-9078888-B2 Nuclear receptor binding agents GTX, INC. (US) 2015-07-14 US disclosed
US-8889698-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2014-11-18 US disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
EP-2566330-A1 NUCLEAR RECEPTOR BINDING AGENTS Gtx, Inc. (US) 2013-03-13 EP disclosed
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 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 (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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA KDM4E 1789/4885PDE4A 1102/4885PDE4B 1495/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 KDM4E 3187/4885PDE4A 492/4885PDE4B 827/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 KDM4E 4404/4885PDE4A 1384/4885PDE4B 1783/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 KDM4E 4528/4885PDE4A 2035/4885PDE4B 2262/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 KDM4E 3216/4885PDE4A 2551/4885PDE4B 3143/4885

“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.