SCHEMBL83892

SCHEMBL83892

CCCCC(=O)c1ccccc1C(=O)CCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRB2 P47870 1/20 0.54
HSD17B3 P37058 3/20 0.53
HTT P42858 5/20 0.52
TSHR P16473 4/20 0.52
HTR7 P34969 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL30125359 1.00 GABRA1 (0.54) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL29619308 0.92 KDM4E (0.58) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL5440917 0.92 KDM4E (0.58) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL15470522 0.92 GABRA1 (0.49) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL4932617 0.92 KDM4E (0.58) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL5444639 0.90 KDM4E (0.57) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL29291671 0.90 MAPT (0.53) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL5444333 0.90 KDM4E (0.57) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL5436833 0.90 KDM4E (0.57) GABRA1GABRB2HSD17B3HTTTSHR
SCHEMBL5436539 0.90 KDM4E (0.57) GABRA1GABRB2HSD17B3HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115469039-A Butylphthalide and related substance detection method thereof 成都施贝康生物医药科技有限公司 2022-12-13 CN claimed
CN-115453014-A Detection method of butylphthalide and related substances thereof 成都施贝康生物医药科技有限公司 2022-12-09 CN claimed
CN-115469039-A Butylphthalide and related substance detection method thereof 成都施贝康生物医药科技有限公司 2022-12-13 CN disclosed
CN-115453014-A Detection method of butylphthalide and related substances thereof 成都施贝康生物医药科技有限公司 2022-12-09 CN disclosed
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-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-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-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-6855826-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2005-02-15 US disclosed
US-20040110692-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2004-06-10 US disclosed
US-6664420-B2 For therapy of hypertension, type 2 insulin-resistant diabetes mellitus, ecalmpsia and preeclampsia MAGNESIUM DIAGNOSTICS, INC. 2003-12-16 US disclosed
EP-1355638-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES Magnesium Diagnostics, Inc. (US) 2003-10-29 EP disclosed
US-20030040625-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2003-02-27 US disclosed
US-6455734-B1 ADMINISTERING PHENYLGLYCINAMIDE(N-2,4-DIAMYLPENTANOIC ACID AMIDE) AS HYPOTENSIVE AGENTS FOR PROPHYLAXIS OF INSULIN RESISTANCE, ECLAMPSIA AND SENSITIVITY TO BLOOD METAL CONCENTRATIONS MAGNESIUM DIAGNOSTICS, INC. 2002-09-24 US disclosed
WO-2002011714-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS, INC. (US) 2002-02-14 WO disclosed
EP-0283359-B1 PROCESS FOR THE PREPARATION OF KETONES SOCIETE NATIONALE ELF AQUITAINE (FR) 1990-09-12 EP disclosed
EP-0283359-A1 Process for the preparation of ketones SOCIETE NATIONALE ELF AQUITAINE (FR) 1988-09-21 EP 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-20040110692-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-20030040625-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states ECE1, PLPBP, ECE2 GABRA1 798/4885GABRB2 944/4885HSD17B3 816/4885
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-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.