SCHEMBL5066932

SCHEMBL5066932

O=C(O)c1cc(C(F)(F)F)nn1-c1cccc(C2OCCCO2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.56
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
CARM1 Q86X55 6/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4563886 0.78 CARM1 (0.65) CARM1
SCHEMBL950904 0.77 GRN (0.72) KLKB1GRNSORT1CARM1KDM4E
SCHEMBL4442422 0.77 HSD17B10 (0.41) KDM4EMEN1POLBPKMRECQL
SCHEMBL5584120 0.76 KLKB1 (0.69) KLKB1GRNSORT1KDM4EMEN1
SCHEMBL23119465 0.76 KLKB1 (0.69) KLKB1GRNSORT1CARM1
SCHEMBL4564141 0.74 KLKB1 (0.49) KLKB1GRNSORT1MEN1POLB
SCHEMBL5698183 0.74 KLKB1 (0.84) KLKB1GRNSORT1CARM1
SCHEMBL3830194 0.72 KLKB1 (0.63) KLKB1GRNSORT1CARM1
SCHEMBL4586217 0.72 KLKB1 (1.00) KLKB1CARM1
SCHEMBL23428984 0.72 KLKB1 (0.80) KLKB1GRNSORT1CARM1

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-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 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 (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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 KLKB1 4560/4885GRN 3587/4885SORT1 3756/4885

“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.