SCHEMBL2915775

SCHEMBL2915775

CCCCCOc1ccc(C(=O)c2ccc(I)cc2)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.47
PTPN11 Q06124 2/20 0.47
LTB4R Q15722 1/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
S1PR3 Q99500 1/20 0.42

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
SCHEMBL2917031 0.89 TP53 (0.51) SMPD1PTPN11
SCHEMBL2917087 0.84 CYP19A1 (0.46) SMPD1PTPN11THRATHRBALDH1A1
SCHEMBL2948416 0.81 LTC4S (0.48) SMPD1PTPN11THRATHRB
SCHEMBL24962415 0.80 MAPT (0.49) SMPD1PTPN11ALDH1A1HPGDS1PR3
SCHEMBL4518941 0.80 SMPD1 (0.61) SMPD1LTB4RTHRATHRBMGLL
SCHEMBL2056260 0.79 CREBBP (0.51) SMPD1PTPN11ALDH1A1HPGD
SCHEMBL4667829 0.79 MAPT (0.45) PTPN11ALDH1A1HPGD
SCHEMBL3738882 0.78 MAOA (0.49) SMPD1PTPN11THRATHRBALDH1A1
SCHEMBL25788934 0.78 MAOA (0.49) SMPD1PTPN11THRATHRBALDH1A1
SCHEMBL30929659 0.78 PTPN11 (0.69) SMPD1PTPN11MGLLALDH1A1HPGD

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 SMPD1 1397/4885PTPN11 4217/4885LTB4R 3/4885

“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.