SCHEMBL3206590

SCHEMBL3206590

CCCCCSOC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
CES2 O00748 2/20 0.42
AKR1B1 P15121 1/20 0.41
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL3670558 0.98 HSD17B10 (0.50) HSD17B10GMNNTP53POLBMAPT
SCHEMBL11260452 0.98 HSD17B10 (0.50) HSD17B10GMNNTP53POLBMAPT
SCHEMBL3635726 0.93
SCHEMBL9299729 0.83
SCHEMBL1728399 0.80 EPHX1 (0.46) HSD17B10GMNNTP53POLBMAPT
SCHEMBL5621429 0.80 CES2 (0.50) HSD17B10GMNNTP53POLBMAPT
SCHEMBL12482041 0.80 CES2 (0.50) HSD17B10GMNNTP53POLBMAPT
Methyl Alcohol SCHEMBL6886999 0.80 CES2 (0.45) HSD17B10GMNNTP53POLBMAPT
SCHEMBL9682707 0.80 CES2 (0.50) HSD17B10GMNNTP53POLBMAPT
SCHEMBL7234137 0.80 CES2 (0.50) HSD17B10GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194502-A1 Protecting Groups for RNA Synthesis AGILENT TECHNOLOGIES, INC. 2008-08-14 US claimed
CN-1200039-A Bioconjugates of manganese complexes containing nitrogen macrocyclic ligand, and their application as catalysts of disproportionated super-oxide MONSANTO CO (US) 1998-11-25 CN claimed
EP-0488248-B1 Cyan image forming method and silver halide color photographic material containing cyan coupler FUJI PHOTO FILM CO LTD (JP) 1997-02-26 EP claimed
CN-117580847-A Macrolide compounds 范德比尔特大学 2024-02-20 CN disclosed
CN-111902147-A Combination cancer therapy of pentaazamacrocycle complexes and platinum-based anticancer agents 加莱拉实验室有限责任公司 2020-11-06 CN disclosed
US-8242258-B2 2' protected nucleoside monomers protected with orthoester-type and acyl carbonate groups; solid phase synthesis of RNA, oxidation and deprotecting, removal from the support AGILENT TECHNOLOGIES, INC. (US) 2012-08-14 US disclosed
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis HUANG TIEN L 2010-10-21 US disclosed
US-20080194502-A1 Protecting Groups for RNA Synthesis AGILENT TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070831-A2 BISBENZAMIDINES AND BISBENZAMIDOXIMES FOR THE TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 WO disclosed
US-20080139534-A1 or sleeping sickness, caused by Trypanosoma brucei gambiense and Trypanosoma brucei rhodesiense; lethargy, continous sleep, breakdown of neurological function, coma and death; viricide, antiprotozoa agent; Pentamidine analog; topoisomerases II inhibitor; inhibit synthesis of DNA, RNA by parasites XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 US disclosed
EP-1309581-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2004-11-03 EP disclosed
EP-1309581-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2003-05-14 EP disclosed
EP-1309582-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2003-05-14 EP disclosed
US-6509483-B2 Reacting 5-carboxyphthalide successively with a Grignard reagent of 4-halo-fluorophenyl and a Grignard reagent of 3-halo-N,N-dimethyl-propylamine and then effecting ring closure H. LUNDBECK A/S (DK) 2003-01-21 US disclosed
US-6426422-B1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-07-30 US disclosed
WO-2002016341-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2002-02-28 WO disclosed
US-20020026062-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-02-28 US disclosed
US-20020025982-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2002-02-28 US disclosed
WO-2002016342-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2002-02-28 WO disclosed
CN-1200039-A Bioconjugates of manganese complexes containing nitrogen macrocyclic ligand, and their application as catalysts of disproportionated super-oxide MONSANTO CO (US) 1998-11-25 CN 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 (5 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-20080139534-A1 or sleeping sickness, caused by Trypanosoma brucei gambiense and Trypanosoma brucei rhodesiense; lethargy, continous sleep, breakdown of neurological function, coma and death; viricide, antiprotozoa agent; Pentamidine analog; topoisomerases II inhibitor; inhibit synthesis of DNA, RNA by parasites TOP2A, TOP2B, TOP1 HSD17B10 2377/4885GMNN 914/4885TP53 4431/4885
US-20080194502-A1 Protecting Groups for RNA Synthesis NSUN2, NSUN3, RNGTT HSD17B10 1727/4885GMNN 751/4885TP53 4356/4885
US-20020026062-A1 Method for the preparation of citalopram HTR3C, HTR4, TPH1 HSD17B10 746/4885GMNN 648/4885TP53 4802/4885
US-20020025982-A1 METHOD FOR THE PREPARATION OF CITALOPRAM MAOB, SLC6A4, CYP2D6 HSD17B10 760/4885GMNN 4515/4885TP53 4514/4885
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT HSD17B10 3148/4885GMNN 944/4885TP53 4538/4885

“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.