SCHEMBL4884718

SCHEMBL4884718

CCCCCCC(=O)c1cccc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.60
THRB P10828 1/20 0.60
EPHX2 P34913 2/20 0.58
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
DRD4 P21917 3/20 0.55
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
PARP1 P09874 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 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
SCHEMBL7315752 1.00 THRA (0.60) THRATHRBEPHX2CES2CES1
SCHEMBL10736335 1.00 THRA (0.60) THRATHRBEPHX2CES2CES1
SCHEMBL4638591 0.94 CES2 (0.59) THRATHRBCES2CES1DRD4
SCHEMBL7389569 0.88 CES2 (0.56) CES2CES1DRD4CTNNB1WNT3A
SCHEMBL4637827 0.87 CES2 (0.62) CES2CES1CTNNB1WNT3AMAPT
SCHEMBL27586299 0.87 THRA (0.78) THRATHRB
SCHEMBL4884872 0.86 PDE4B (0.62) CES2CES1DRD4CTNNB1WNT3A
SCHEMBL13085731 0.85 HSD17B3 (0.62) THRATHRBCES2CES1MAPT
SCHEMBL4889161 0.85 CES2 (0.56) CES2CES1DRD4CTNNB1WNT3A
SCHEMBL28133957 0.84 PARP1 (0.53) CES2CES1DRD4CTNNB1WNT3A

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 THRA 615/4885THRB 413/4885EPHX2 3292/4885

“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.