SCHEMBL3494511

SCHEMBL3494511

CCOC(=O)C(CC(C)=O)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
TDP1 Q9NUW8 2/20 0.48
MMP8 P22894 2/20 0.47
MDM2 Q00987 1/20 0.46
PIN1 Q13526 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 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
SCHEMBL8775304 0.89 KMT2A (0.57) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL4666968 0.87 MEN1 (0.55) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL973673 0.87 KMT2A (0.69) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL23731908 0.86 KMT2A (0.54) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL5450997 0.85 MEN1 (0.56) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL13998335 0.84 TDP1 (0.49) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL3494672 0.84 ALDH1A1 (0.53) KMT2ANPC1TDP1MDM2ALDH1A1
SCHEMBL3589983 0.83 KMT2A (0.51) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL3607036 0.83 KMT2A (0.51) KMT2AMEN1NPC1TDP1MMP8
SCHEMBL381114 0.83 ALDH1A1 (0.55) KMT2AMEN1NPC1TDP1ALDH1A1

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-8754252-B2 Asymmetric cyclization processes using unsaturated nitro compounds NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-06-17 US disclosed
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-11-25 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
CN-1249033-C Cyclic amp-specific phosphodiesterase inhibitors ICOS CORP (US) 2006-04-05 CN disclosed
CN-1434799-A Cyclic amp-specific phosphodiesterase inhibitors ICOS CORP (US) 2003-08-06 CN disclosed
US-6569890-B2 Antiinflamamtory agents ICOS CORPORATION 2003-05-27 US disclosed
US-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-01-16 US disclosed
EP-1244620-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-10-02 EP disclosed
US-6372777-B1 ENZYME INHIBITORS TREATMENT OF INFLAMMATORY DISEASES AND OTHER DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, AS WELL AS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS, ICOS CORPORATION 2002-04-16 US disclosed
WO-2001047880-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 KMT2A 952/4885MEN1 750/4885NPC1 3189/4885
US-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE4C KMT2A 3995/4885MEN1 3232/4885NPC1 4258/4885
US-20100298576-A1 ASYMMETRIC CYCLIZATION PROCESSES USING UNSATURATED NITRO COMPOUNDS NQO1, COASY, NOS2 KMT2A 3541/4885MEN1 3219/4885NPC1 167/4885

“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.