SCHEMBL2917031

SCHEMBL2917031

CCCCCOc1ccc(C(=O)c2ccc(OCCCCC)c(C(=O)OC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLA2G4B P0C869 2/20 0.50
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
SMPD1 P17405 3/20 0.48
PTPN11 Q06124 1/20 0.48
RARB P10826 3/20 0.48
PLA2G4A P47712 1/20 0.48

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
SCHEMBL2915775 0.89 SMPD1 (0.47) SMPD1PTPN11
SCHEMBL14507234 0.86 LMNA (0.52) TP53TSHRMAPT
SCHEMBL2917087 0.85 CYP19A1 (0.46) MAPTSMPD1PTPN11
SCHEMBL2056260 0.83 CREBBP (0.51) MAPTSMPD1PTPN11
SCHEMBL13790359 0.83 MAPT (0.68) TP53TSHRPLA2G4BMAPTRARB
SCHEMBL14507238 0.82 LMNA (0.54) TSHRMAPT
SCHEMBL2948416 0.82 LTC4S (0.48) SMPD1PTPN11
SCHEMBL17203727 0.81 TP53 (0.74) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL4518941 0.81 SMPD1 (0.61) PLA2G4BSMPD1
SCHEMBL2056261 0.80 PTPN11 (0.47) MAPTSMPD1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION 2010-11-11 US disclosed
EP-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION LTC4S, LTB4R2, LTB4R TP53 2053/4885TSHR 2434/4885PLA2G4B 446/4885

“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.