SCHEMBL2235599

SCHEMBL2235599

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP13 P45452 1/20 0.53
ADAM17 P78536 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HPGD P15428 6/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2B P41595 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL17206663 0.87 ALDH1A1 (0.59) MEN1KMT2ASLC6A2SLC6A3HPGD
SCHEMBL2236536 0.87 ALDH1A1 (0.46) MMP1MMP3MMP13ADAM17MEN1
SCHEMBL17206886 0.87 TSHR (0.45) MMP1MMP3MMP13ADAM17MEN1
SCHEMBL2238451 0.86 ALDH1A1 (0.48) MMP1MMP3MMP13ADAM17MEN1
SCHEMBL17206651 0.85 HPGD (0.50) MEN1KMT2ASLC6A2SLC6A3HPGD
SCHEMBL17206662 0.85 KCNQ2 (0.50) KMT2ASLC6A2SLC6A3ALDH1A1HTT
SCHEMBL2240734 0.85 HPGD (0.50) MMP13MEN1KMT2AHPGDALDH1A1
SCHEMBL2237437 0.85 ALDH1A1 (0.56) MMP13MEN1KMT2ASLC6A2SLC6A3
SCHEMBL12352643 0.85 SLC6A2 (0.45) MEN1KMT2ASLC6A2SLC6A3HPGD
SCHEMBL17206653 0.85 HRH3 (0.53) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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 15 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
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 MMP1 1068/4885MMP3 1895/4885MMP13 2088/4885
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF PFAS, TST, EPCAM MMP1 1308/4885MMP3 2324/4885MMP13 2617/4885

“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.