SCHEMBL1156528

SCHEMBL1156528

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
NPC1 O15118 3/20 0.69
MEN1 O00255 2/20 0.69
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
MMP8 P22894 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 1/20 0.45
PIN1 Q13526 1/20 0.45
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL6014923 0.92 KMT2A (0.75) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL10830586 0.90 KMT2A (0.73) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL973673 0.87 KMT2A (0.69) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL2070001 0.86 KMT2A (0.67) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL8535189 0.85 KMT2A (0.68) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL13082074 0.85 KMT2A (0.50) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL2884408 0.84 L3MBTL1 (0.50) KMT2ANPC1MEN1POLBALDH1A1
SCHEMBL3032065 0.84 KMT2A (0.49) KMT2ANPC1MEN1NPSR1TDP1
SCHEMBL1156727 0.84 KMT2A (0.49) KMT2ANPC1MEN1POLBNPSR1
SCHEMBL375694 0.84 ALDH1A1 (0.53) KMT2ANPC1MEN1POLBNPSR1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3018125-B1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2020-08-05 EP disclosed
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-9745274-B2 Compound, organic cation transporter 3 detection agent, and organic cation transporter 3 activity inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2017-08-29 US disclosed
US-20170065602-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF THE UNIVERSITY OF UTAH 2017-03-09 US disclosed
US-20170065602-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF THE UNIVERSITY OF UTAH 2017-03-09 US disclosed
US-20170065602-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF THE UNIVERSITY OF UTAH 2017-03-09 US disclosed
US-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2016-11-03 US disclosed
US-9340500-B2 Aromatic heterocyclic derivative having TRPV4-inhibiting activity SHIONOGI & CO., LTD. (JP) 2016-05-17 US disclosed
US-9340500-B2 Aromatic heterocyclic derivative having TRPV4-inhibiting activity SHIONOGI & CO., LTD. (JP) 2016-05-17 US disclosed
EP-3018125-A1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR Shin Nippon Biomedical Laboratories, Ltd. (JP) 2016-05-11 EP disclosed
WO-2004069227-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE PYRROLE CARBOXAMIDE AND EXCIPIENT LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2004058249-A1 1,5-DIARYL-PYRROLE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS CANNABINOID RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-07-15 WO 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
US-5114462-A Herbicides as plant growth regulators, phenoxypropionic acid esters and derivatives CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
US-5078780-A Plant safening agents for use with herbicides CIBA-GEIGY CORPORATION (US) 1992-01-07 US disclosed
US-4944790-A PLANT SAFENING AGENTS FOR USE WITH CERTAIN HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-07-31 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 (4 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-20030013754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE4C KMT2A 3995/4885NPC1 4258/4885MEN1 3232/4885
US-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SLCO1B3, SLC22A8, SLC10A6 KMT2A 3316/4885NPC1 135/4885MEN1 2566/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 KMT2A 2262/4885NPC1 596/4885MEN1 1854/4885
US-20170065602-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF TRPV4, TRPV3, TRPV2 KMT2A 4684/4885NPC1 470/4885MEN1 4076/4885

“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.