SCHEMBL2236869

SCHEMBL2236869

CCCCC(C(=O)N1CCCCC1)c1ccc(COC(C)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2B P41595 1/20 0.39
HPGD P15428 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
CHRM1 P11229 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL17426910 0.91 HTR1A (0.41) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL17426909 0.89 HTR1A (0.41) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL2236872 0.84 SLC6A2 (0.47) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL12352643 0.83 SLC6A2 (0.45) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL2236536 0.83 ALDH1A1 (0.46) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL2239760 0.83 ALDH1A1 (0.53) ALDH1A1HPGDHRH3KMT2AMEN1
SCHEMBL2300695 0.81 USP14 (0.38) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL17206653 0.81 HRH3 (0.53) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL2235599 0.80 MMP1 (0.53) ALDH1A1HTR1AHTR1DHTR2BHPGD
SCHEMBL1589765 0.79 HTR1A (0.53) ALDH1A1HTR1AHTR1DHTR2BGAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938415-B2 Functionalised antifouling compounds and use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-04-10 US disclosed
US-9938415-B2 Functionalised antifouling compounds and use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-04-10 US disclosed
US-9938415-B2 Functionalised antifouling compounds and use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-04-10 US disclosed
US-20160009926-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-01-14 US disclosed
US-20160009926-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-01-14 US disclosed
US-20160009926-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-01-14 US disclosed
US-9169223-B2 Functionalised antifouling compounds and use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-10-27 US disclosed
US-9169223-B2 Functionalised antifouling compounds and use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-10-27 US disclosed
US-9169223-B2 Functionalised antifouling compounds and use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-10-27 US disclosed
EP-2531494-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF Agency For Science, Technology And Research (SG) 2012-12-12 EP disclosed
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-29 US disclosed
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-29 US disclosed
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-29 US disclosed
WO-2011096897-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-08-11 WO 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 (2 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-20160009926-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF PFAS, ALKBH3, ITGA1 ALDH1A1 36/4885HTR1A 2832/4885HTR1D 1667/4885
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF PFAS, TST, EPCAM ALDH1A1 102/4885HTR1A 2500/4885HTR1D 1788/4885

“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.