SCHEMBL2240734

SCHEMBL2240734

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17206651 0.91 HPGD (0.50) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2238451 0.88 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17206663 0.88 ALDH1A1 (0.59) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2237437 0.86 ALDH1A1 (0.56) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2235599 0.85 MMP1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2236536 0.83 ALDH1A1 (0.46) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2239760 0.83 ALDH1A1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2237453 0.83 ALDH1A1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20033537 0.83 ALDH1A1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12352470 0.83 ALDH1A1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2

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 11 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-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 HPGD 1788/4885ALDH1A1 36/4885MEN1 4475/4885
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF PFAS, TST, EPCAM HPGD 2998/4885ALDH1A1 102/4885MEN1 4371/4885

“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.