SCHEMBL93072

SCHEMBL93072

CCC(C)/C(=C/C=C(\C(=O)O)C(C)CC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ENPEP Q07075 2/20 0.31
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
FFAR3 O14843 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19018790 0.87 FOLH1 (0.31) FOLH1NAALAD2TSHR
SCHEMBL3901087 0.85 ITGB1 (0.36) FOLH1NAALAD2GABRR1CYP1A2FFAR3
SCHEMBL813214 0.85 ITGB1 (0.36) FOLH1NAALAD2GABRR1CYP1A2FFAR3
SCHEMBL10451868 0.85 ITGB1 (0.36) FOLH1NAALAD2GABRR1CYP1A2FFAR3
SCHEMBL20564788 0.83 PTPN1 (0.37) TSHR
SCHEMBL3884471 0.83 FOLH1 (0.30) FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL6000457 0.81 GRIK1 (0.38)
SCHEMBL3898740 0.81 KDM4E (0.33) TSHR
SCHEMBL7559349 0.81 GRIK1 (0.38)
SCHEMBL28889731 0.79

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 10 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

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-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU FOLH1 3739/4885NAALAD2 4262/4885ENPEP 3112/4885
US-20100048711-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU FOLH1 3739/4885NAALAD2 4262/4885ENPEP 3112/4885
US-20090030080-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU FOLH1 3739/4885NAALAD2 4262/4885ENPEP 3112/4885
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU FOLH1 3739/4885NAALAD2 4262/4885ENPEP 3112/4885
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES PLPBP, ECE1, MCU FOLH1 3739/4885NAALAD2 4262/4885ENPEP 3112/4885

“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.