SCHEMBL88274

SCHEMBL88274

C#COC(=O)CCCC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL50734 0.82 CYP1A2 (0.73) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL1331978 0.82 CYP1A2 (0.73) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL7359360 0.81
SCHEMBL1712975 0.80 TSHR (0.38) CYP1A2ALDH1A1TSHRHSD17B10DGKA
SCHEMBL31150447 0.80 CYP1A2 (0.70) CYP1A2NR1I2PGRADORA3PTGS2
Succinic Acid Diethyl Ester SCHEMBL21518140 0.80 CYP1A2 (0.70) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL12199120 0.80 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL10011030 0.80 L3MBTL1 (0.58) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL7356015 0.79 DGKA (0.52) ALDH1A1TSHRALOX15TDP1HSD17B10
SCHEMBL2261658 0.78 MAPT (0.39) CYP1A2L3MBTL1ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS INC. (US) 2012-06-07 US disclosed
US-8129545-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2012-03-06 US disclosed
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC. (US) 2011-11-17 US disclosed
US-7982048-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2011-07-19 US disclosed
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS, INC. 2011-01-27 US disclosed
US-7795450-B2 Antagonist of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2010-09-14 US disclosed
US-20100048711-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2010-02-25 US disclosed
US-7619097-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2009-11-17 US disclosed
US-20090030080-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2009-01-29 US disclosed
US-7405311-B2 Antagonist of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2008-07-29 US disclosed
US-20070197659-A1 Antagonist of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2007-08-23 US disclosed
US-7211667-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2007-05-01 US disclosed
US-20070010535-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological atates MAGNESIUM DIAGNOSTICS, INC. 2007-01-11 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 (7 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-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU CYP1A2 3365/4885NR1I2 577/4885PGR 1514/4885
US-20070010535-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological atates ECE1, GLS, ECE2 CYP1A2 3308/4885NR1I2 1355/4885PGR 1690/4885
US-20100048711-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU CYP1A2 3365/4885NR1I2 577/4885PGR 1514/4885
US-20090030080-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU CYP1A2 3365/4885NR1I2 577/4885PGR 1514/4885
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU CYP1A2 3365/4885NR1I2 577/4885PGR 1514/4885
US-20070197659-A1 Antagonist of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MEN1 CYP1A2 3331/4885NR1I2 476/4885PGR 1392/4885
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES PLPBP, ECE1, MCU CYP1A2 3365/4885NR1I2 577/4885PGR 1514/4885

“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.