SCHEMBL88418

SCHEMBL88418

CCCCC(=O)c1ccccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
HSD17B3 P37058 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 5/20 0.42
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTR7 P34969 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IAPP P10997 1/20 0.42
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL13990162 0.93 HTT (0.49) HSD17B3MEN1KMT2AHTTTSHR
SCHEMBL28430631 0.87 SOAT2 (0.52) KDM4ETSHRTDP1CES1LMNA
SCHEMBL10872329 0.86 GABRA1 (0.46) GABRA1GABRB2HSD17B3MEN1KMT2A
SCHEMBL83892 0.83 GABRA1 (0.54) GABRA1GABRB2HSD17B3MEN1KMT2A
SCHEMBL30125359 0.83 GABRA1 (0.54) GABRA1GABRB2HSD17B3MEN1KMT2A
SCHEMBL97144 0.82 KMT2A (0.46) MEN1KMT2AHTTTSHRTDP1
SCHEMBL10872266 0.81 HTT (0.47) GABRA1GABRB2HSD17B3MEN1KMT2A
SCHEMBL28522618 0.80 BLM (0.44) MEN1KMT2AKDM4ERECQLHTT
SCHEMBL10871877 0.80 HTT (0.49) HSD17B3MEN1KMT2AHTTTSHR
SCHEMBL547241 0.79 HTT (0.47) HSD17B3MEN1KMT2AHTTTSHR

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 5 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

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-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU GABRA1 679/4885GABRB2 849/4885HSD17B3 797/4885
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU GABRA1 679/4885GABRB2 849/4885HSD17B3 797/4885
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES PLPBP, ECE1, MCU GABRA1 679/4885GABRB2 849/4885HSD17B3 797/4885

“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.