SCHEMBL2238468

SCHEMBL2238468

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 2/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL12352643 0.85 SLC6A2 (0.45) ALDH1A1HPGDMAPTHTR1AHTR1D
SCHEMBL17206653 0.85 HRH3 (0.53) ALDH1A1HPGDHTR1AHTR1DHTR2B
SCHEMBL1589765 0.83 HTR1A (0.53) ALDH1A1KDM4EHTR1AHTR1DHTR2B
SCHEMBL2237570 0.83 HPGD (0.46) ALDH1A1HPGDHTR1AHTR1DHTR2B
SCHEMBL2236872 0.83 SLC6A2 (0.47) ALDH1A1HPGDHTR1AHTR1DHTR2B
SCHEMBL2235599 0.82 MMP1 (0.53) ALDH1A1HPGDMAPTKDM4EHTR1A
SCHEMBL17206663 0.80 ALDH1A1 (0.59) ALDH1A1HPGDMAPTLMNATSHR
SCHEMBL2236536 0.80 ALDH1A1 (0.46) ALDH1A1HPGDMAPTHTR1AHTR1D
SCHEMBL2236353 0.79 THRB (0.48) ALDH1A1HPGDMAPTHTR1AHTR1D
SCHEMBL10724174 0.79 TYR (0.43) ALDH1A1LMNAL3MBTL1TDP1MMP3

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 16 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
CN-103209969-A Functionalised antifouling compounds and use thereof AGENCY SCIENCE TECH & RES 2013-07-17 CN 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
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 36/4885HPGD 1788/4885MAPT 4823/4885
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF PFAS, TST, EPCAM ALDH1A1 102/4885HPGD 2998/4885MAPT 4823/4885

“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.