SCHEMBL231918

SCHEMBL231918

CCCCCCc1cccc(C(=O)O)c1S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.57
MCL1 Q07820 6/20 0.57
KAT8 Q9H7Z6 5/20 0.57
BCL2L1 Q07817 5/20 0.57
BAK1 Q16611 5/20 0.57
PPARA Q07869 4/20 0.57
PPARG P37231 2/20 0.57
SAE1 Q9UBE0 2/20 0.57
EP300 Q09472 2/20 0.57
KAT5 Q92993 2/20 0.57
KAT2A Q92830 1/20 0.57
KAT2B Q92831 1/20 0.57
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
MMP2 P08253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ECE1 P42892 1/20 0.50
SGMS1 Q86VZ5 1/20 0.50

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
SCHEMBL668131 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL80184 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL1691931 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL586009 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL1562330 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL194425 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL8925891 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL7920927 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL5710015 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1
SCHEMBL467028 0.83 BID (0.59) BIDMCL1KAT8BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US 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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R BID 732/4885MCL1 2944/4885KAT8 3462/4885

“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.