SCHEMBL3945694

SCHEMBL3945694

O=C(O)N1C[C@@H](O)C[C@@H]1COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.41
RIPK1 Q13546 1/20 0.40
PIK3CD O00329 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
GRM2 Q14416 1/20 0.39
ALOX15 P16050 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38

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
SCHEMBL6974057 1.00 NR1D1 (0.41) NR1D1RIPK1PIK3CDMEN1KMT2A
SCHEMBL4301223 0.87 NR1D1 (0.41) NR1D1KMT2ATDP1GRM2
SCHEMBL4305832 0.87 S1PR5 (0.41) NR1D1KMT2AFFAR4ABHD6DAGLA
SCHEMBL3950648 0.87 NR1D1 (0.40) NR1D1MEN1KMT2ATDP1FFAR4
SCHEMBL4298176 0.87 NR1D1 (0.40) NR1D1MEN1KMT2ATDP1FFAR4
SCHEMBL3948770 0.87 NPC1 (0.42) TDP1
SCHEMBL8059551 0.83 CYP1A2 (0.45) NR1D1RIPK1MEN1KMT2A
SCHEMBL4297028 0.80 SCN3A (0.38) NR1D1FFAR4
SCHEMBL6975692 0.80 AGTR2 (0.46) NR1D1RIPK1PIK3CDABHD6DAGLA
SCHEMBL22555190 0.80 AGTR2 (0.46) NR1D1RIPK1PIK3CDABHD6DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF NR1D1 1663/4885RIPK1 3303/4885PIK3CD 3793/4885

“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.