SCHEMBL734007

SCHEMBL734007

CCC([C]=O)c1cccc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFE2L2 Q16236 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP2 O95551 1/20 0.38
HPGD P15428 1/20 0.38
ALOX5 P09917 1/20 0.38
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL7278348 0.86 POLB (0.46) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL4292017 0.78 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2NFE2L2KDM4E
SCHEMBL12714862 0.75 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22620577 0.75 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11808683 0.75 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2DRD2ADRA2B
SCHEMBL31688909 0.73 ALDH1A1 (0.45) ALDH1A1MAPTPOLBHTTNPSR1
SCHEMBL9181573 0.73 CYP1A2 (0.40) MAPTSMN1; SMN2NPSR1L3MBTL1NFE2L2
SCHEMBL11074712 0.73 SMN1; SMN2 (0.40) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2028144 0.72 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL15750738 0.72 SMN1; SMN2 (0.44) ALDH1A1MAPTSMN1; SMN2NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2020-02-27 US disclosed
US-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-09-13 US disclosed
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-03-29 US disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 US disclosed
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-11-03 US disclosed
US-9458082-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9422225-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
EP-2998288-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals, Inc. (US) 2016-03-23 EP disclosed
EP-1954669-B1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS INC (US) 2015-07-08 EP disclosed
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2014-10-02 US disclosed
US-5965558-A 2 OR 2,3-DI((2-CARBOXYETHYLENEARYL)QUINOXALINES; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; UNITS INCLUDING PROTEIN TYROSINE PHOSPHATASES AND PROTEINS WITH SRC-HOMOLOGY-2 DOMAINS; ANTIDIABETICS,-ALLERGENS,-COAGULANTS ONTOGEN CORPORATION (US) 1999-10-12 US disclosed
EP-0946518-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1999-10-06 EP disclosed
WO-1999046268-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 WO disclosed
WO-1998027065-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1998-06-25 WO disclosed
US-5753687-A ACRYLATED ARYLIMIDAZOLE DERIVATIVES ONTOGEN CORPORATION (US) 1998-05-19 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 (6 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-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885MAPT 234/4885SMN1; SMN2 385/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885MAPT 234/4885SMN1; SMN2 385/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885MAPT 234/4885SMN1; SMN2 385/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885MAPT 234/4885SMN1; SMN2 385/4885
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885MAPT 234/4885SMN1; SMN2 385/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885MAPT 234/4885SMN1; SMN2 385/4885

“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.