SCHEMBL3206571

SCHEMBL3206571

CCCCCOC(=O)SCCCCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.69
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.45
HCAR2 Q8TDS4 2/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL3670553 0.98 ACHE (0.70) ACHENAAAEPHX1TSHRALDH1A1
SCHEMBL6577987 0.89 ACHE (0.61) ACHENAAAEPHX1TSHRALDH1A1
SCHEMBL28180783 0.85 ACHE (0.61) ACHENAAAEPHX1ALDH1A1TP53
SCHEMBL4555961 0.80 NAAA (0.56) ACHENAAAEPHX1TSHRALDH1A1
SCHEMBL28066180 0.79 ACHE (0.57) ACHENAAAEPHX1TSHRTP53
SCHEMBL4278518 0.79 ACHE (0.57) ACHENAAAEPHX1TP53RAD52
SCHEMBL9509262 0.79 ACHE (0.54) ACHENAAATSHRALDH1A1MAPK1
SCHEMBL11615274 0.79 NAAA (0.50) ACHENAAAEPHX1TSHRALDH1A1
SCHEMBL10812728 0.78 NAAA (0.59) ACHENAAAEPHX1TSHRALDH1A1
SCHEMBL11495665 0.78 ACHE (0.54) ACHENAAAEPHX1TSHRALDH1A1

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 7 patents. 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-117580847-A Macrolide compounds 范德比尔特大学 2024-02-20 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

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-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 ACHE 408/4885NAAA 1268/4885EPHX1 4004/4885
US-20080194502-A1 Protecting Groups for RNA Synthesis NSUN2, NSUN3, RNGTT ACHE 4630/4885NAAA 1043/4885EPHX1 2699/4885
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT ACHE 1688/4885NAAA 666/4885EPHX1 2632/4885

“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.