SCHEMBL733969

SCHEMBL733969

CCCC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 3/20 0.42
DGKA P23743 1/20 0.39
TSHR P16473 3/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PAM P19021 2/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.33
NLRP3 Q96P20 1/20 0.33
DNM1 Q05193 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8155925 0.90 ALDH1A1 (0.40) ALDH1A1LMNADGKATSHRCES2
SCHEMBL9095809 0.87 DGKA (0.50) ALDH1A1LMNADGKATSHRCES2
SCHEMBL7439614 0.85 ADRA2A (0.37) ALDH1A1DGKATSHRCYP1A2MAPT
SCHEMBL4908232 0.85 DGKA (0.59) ALDH1A1LMNADGKATSHRPAM
SCHEMBL5425458 0.84 ALDH1A1 (0.44) ALDH1A1LMNADGKAMAPT
SCHEMBL8945733 0.84 DGKA (0.62) ALDH1A1LMNADGKATSHRPAM
SCHEMBL3216532 0.84 DGKA (0.62) ALDH1A1LMNADGKATSHRPAM
SCHEMBL9400196 0.84 DGKA (0.62) ALDH1A1LMNADGKATSHRPAM
SCHEMBL9876160 0.84 DGKA (0.62) ALDH1A1LMNADGKATSHRPAM
SCHEMBL8945616 0.84 DGKA (0.62) ALDH1A1LMNADGKATSHRPAM

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 144 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-2000510455-A 2000-08-15 JP claimed
EP-0896540-A1 USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION Troponwerke GmbH & Co. KG (DE) 1999-02-17 EP claimed
WO-1997039756-A1 USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION TROPONWERKE GMBH & CO. KG (DE) 1997-10-30 WO claimed
EP-0801135-A1 Enzymatic resolution of endo-bicyclo (2.2.1)heptan-2-ol PFIZER INC. (US) 1997-10-15 EP claimed
EP-0428302-B1 Enzymatic resolution of endo-bicycle(2.2.1)-heptan-2-ol and derived pharmaceutical agents PFIZER (US) 1997-09-24 EP claimed
US-5270206-A Enzymatic resolution of endo-bicyclo[2.2.1]heptan-2-ol and derived pharmaceutical agents PFIZER INC. (US) 1993-12-14 US claimed
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 claimed
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 claimed
JP-5137584-A None JP disclosed
US-20230399289-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-20230381132-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
EP-0266217-A2 Process for producing optically active compounds CHISSO CORPORATION (JP) 1988-05-04 EP disclosed
US-4288608-A Synthesis of anthracyclines RESEARCH CORPORATION (US) 1981-09-08 US disclosed
US-4196127-A INTERMEDIATES FOR DAUNOMYCIN ANTIBIOTICS, ANTITUMOR RESEARCH CORPORATION (US) 1980-04-01 US disclosed
EP-0007400-A1 Anthracene derivatives useful as intermediates in the preparation of daunomycinones Research Corporation (US) 1980-02-06 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 (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-20230381132-A1 NOVEL COMPOUNDS CNKSR1, RORC, RCOR3 ALDH1A1 311/4885LMNA 3991/4885DGKA 3800/4885
US-20230399289-A1 ITACONIC ACID DERIVATIVES IL1R1, LRBA, HCAR1 ALDH1A1 28/4885LMNA 3277/4885DGKA 4462/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 ALDH1A1 1435/4885LMNA 1693/4885DGKA 1285/4885

“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.