SCHEMBL4884872

SCHEMBL4884872

COc1cccc(C(=O)CCCCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.62
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
HSD11B1 P28845 2/20 0.56

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
SCHEMBL28188567 0.97 PDE4B (0.67) PDE4BALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL4722288 0.90 ALDH1A1 (0.69) PDE4BALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL30416831 0.90 ALDH1A1 (0.69) PDE4BALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL7315752 0.86 THRA (0.60) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL4884718 0.86 THRA (0.60) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL10736335 0.86 THRA (0.60) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL7389569 0.86 CES2 (0.56) ALDH1A1CES2CES1HSD11B1CTNNB1
SCHEMBL4889161 0.86 CES2 (0.56) ALDH1A1CES2CES1HSD11B1CTNNB1
SCHEMBL4638591 0.86 CES2 (0.59) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL8269548 0.85 HSD11B1 (0.64) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10

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 PDE4B 2342/4885ALDH1A1 3671/4885CYP1A2 547/4885

“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.