SCHEMBL4889161

SCHEMBL4889161

COC(=O)CCCCC(=O)c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD4 P21917 4/20 0.53
PARP1 P09874 1/20 0.53
KMT2A Q03164 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52

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
SCHEMBL3302845 0.97 CES2 (0.56) CES2CES1CTNNB1WNT3ANPC1
SCHEMBL3588375 0.91 CTNNB1 (0.60) CES2CES1CTNNB1WNT3ANPC1
SCHEMBL30416977 0.91 CTNNB1 (0.60) CES2CES1CTNNB1WNT3ANPC1
SCHEMBL7389569 0.88 CES2 (0.56) CES2CES1CTNNB1WNT3ANPC1
SCHEMBL28133957 0.87 PARP1 (0.53) CES2CES1CTNNB1WNT3ANPC1
SCHEMBL4884872 0.86 PDE4B (0.62) CES2CES1CTNNB1WNT3ANPC1
SCHEMBL7315752 0.85 THRA (0.60) CES2CES1CTNNB1WNT3AMAPT
SCHEMBL10736335 0.85 THRA (0.60) CES2CES1CTNNB1WNT3AMAPT
SCHEMBL4884718 0.85 THRA (0.60) CES2CES1CTNNB1WNT3AMAPT
SCHEMBL4638591 0.84 CES2 (0.59) CES2CES1CTNNB1WNT3ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262011-A1 Modulator UCL BIOMEDICA PLC (GB) 2008-10-23 US disclosed
US-20080262011-A1 Modulator UCL BIOMEDICA PLC (GB) 2008-10-23 US disclosed
US-20080262011-A1 Modulator UCL BIOMEDICA PLC (GB) 2008-10-23 US disclosed
EP-1853538-A2 MODULATOR UCL Biomedica plc (GB) 2007-11-14 EP disclosed
WO-2006067450-A2 MODULATOR UCL BIOMEDICA PLC (GB) 2006-06-29 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-20080262011-A1 Modulator CHRNA10, CNR1, CHRNA9 CES2 1884/4885CES1 1632/4885CTNNB1 4388/4885

“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.