SCHEMBL3921708

SCHEMBL3921708

O=CCNCCCCCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
EPHX1 P07099 1/20 0.36
PAOX Q6QHF9 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMOX Q9NWM0 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6039745 1.00 KDM1A (0.39) KDM1ACA1CA2CA12CA9
SCHEMBL3930573 0.97
SCHEMBL3929519 0.90
SCHEMBL31532956 0.78 PAOX (0.39) KDM1ACA1CA2CA12CA9
SCHEMBL9801491 0.78 CA2 (0.46) CA1CA2CA12CA9PAOX
SCHEMBL284116 0.78 CA2 (0.46) CA1CA2CA12CA9PAOX
SCHEMBL9801139 0.78 CA2 (0.46) CA1CA2CA12CA9PAOX
SCHEMBL9801504 0.78 CA2 (0.46) CA1CA2CA12CA9PAOX
SCHEMBL9801062 0.78 CA2 (0.46) CA1CA2CA12CA9PAOX
SCHEMBL9801404 0.78 CA2 (0.46) CA1CA2CA12CA9PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485421-B2 Polyamide-oligonucleotide derivatives, their preparation and use HOECHST GMBH (DE) 2009-02-03 US disclosed
EP-1113021-B1 Polyamide-oligonucleotide derivatives, their production and use SANOFI AVENTIS DEUTSCHLAND (DE) 2006-08-09 EP disclosed
US-6919441-B2 Polyamide-oligonucleotide derivatives, their preparation and use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-19 US disclosed
US-20050026817-A1 Polyamide-oligonucleotide derivatives, their preparation and use AVENTIS PHARMA DEUTSCHLAND GMBH (US) 2005-02-03 US disclosed
EP-0672677-B1 Polyamide-oligonucleotide derivatives, their production and use AVENTIS PHARMA GMBH (DE) 2002-07-03 EP disclosed
EP-1113021-A2 Polyamide-oligonucleotide derivatives, their production and use Aventis Pharma Deutschland GmbH (DE) 2001-07-04 EP disclosed
EP-0672677-A2 Polyamide-oligonucleotide derivatives, their production and use HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP 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 (1 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-20050026817-A1 Polyamide-oligonucleotide derivatives, their preparation and use POLRMT, POLR2H, POLN KDM1A 4655/4885CA1 2763/4885CA2 1707/4885

“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.