SCHEMBL2236754

SCHEMBL2236754

COc1ccccc1CC(=O)N1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MEN1 O00255 5/20 0.71
SIGMAR1 Q99720 3/20 0.69
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
ALOX15 P16050 1/20 0.60
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL5679866 0.98 KMT2A (0.74) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL8594195 0.85 KMT2A (0.58) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL30118954 0.85 KMT2A (0.71) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL8328272 0.85 KMT2A (0.67) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL3624308 0.85 KMT2A (0.69) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL8325065 0.85 KMT2A (0.71) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL3242055 0.84 KMT2A (0.56) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL22813637 0.84 KMT2A (0.69) KMT2AMEN1SIGMAR1KDM4EALOX15
SCHEMBL2238597 0.81 ALDH1A1 (0.60) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL17868771 0.81 KMT2A (0.58) KMT2AMEN1ALDH1A1TSHRSMN1; 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 6 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
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
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 KMT2A 1621/4885MEN1 4475/4885SIGMAR1 158/4885
US-20120301423-A1 FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF PFAS, TST, EPCAM KMT2A 1701/4885MEN1 4371/4885SIGMAR1 228/4885

“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.