SCHEMBL733970

SCHEMBL733970

CCCC(=O)OC(Cl)C(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FFAR3 O14843 3/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL9095817 0.87 LMNA (0.52) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL8154447 0.85 LMNA (0.60) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL11048594 0.84 ALDH1A1 (0.46) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL8945740 0.84 LMNA (0.63) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL3216541 0.84 LMNA (0.63) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL8945623 0.84 LMNA (0.63) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL8527984 0.81 CYP2C9 (0.38) ALDH1A1LMNAFFAR3
SCHEMBL27287777 0.81
SCHEMBL8528906 0.80 TSHR (0.56) ALDH1A1LMNATSHRMAPT
SCHEMBL1171148 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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 US claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
JP-5137584-A None JP disclosed
EP-2998288-B1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARM INC (US) 2022-08-24 EP disclosed
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
WO-1991007501-A1 ENZYMATIC RESOLUTION OF ENDO-BICYCLO[2.2.1]HEPTAN-2-OL AND DERIVED PHARMACEUTICAL AGENTS PFIZER INC. (US) 1991-05-30 WO disclosed
WO-1991007177-A1 PYRIMIDONE DERIVATIVES AND ANALOGS IN THE TREATMENT OF ASTHMA OR CERTAIN SKIN DISORDERS PFIZER INC. (US) 1991-05-30 WO disclosed
EP-0428302-A2 Enzymatic resolution of endo-bicycle(2.2.1)-heptan-2-ol and derived pharmaceutical agents PFIZER INC. (US) 1991-05-22 EP disclosed
EP-0428313-A2 Pyrimidone derivatives and analogs in the treatment of asthma or certain skin disorders PFIZER INC. (US) 1991-05-22 EP disclosed
US-4933290-A REACTING WITH AN ESTER, ACID, OR ANHYDRIDE IN THE PRESENCE OF A LIPASE IMMOBILIZED ON A POROUS CARRIER MONTEDISON S.P.A. (IT) 1990-06-12 US disclosed
EP-0304706-A2 Process for producing optically active compounds having pyridine skeletons CHISSO CORPORATION (JP) 1989-03-01 EP disclosed
EP-0288994-A2 Process for producing optically active compounds Chisso Corporation (JP) 1988-11-02 EP disclosed
EP-0274277-A2 A process for the enzymatic separation of the optical isomers of racemic oxazolidinonic derivatives Montedison S.p.A. (IT) 1988-07-13 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 (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 3075/4885LMNA 869/4885TSHR 847/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885LMNA 869/4885TSHR 847/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885LMNA 869/4885TSHR 847/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885LMNA 869/4885TSHR 847/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALDH1A1 1435/4885LMNA 1693/4885TSHR 3358/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 ALDH1A1 3075/4885LMNA 869/4885TSHR 847/4885

“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.