SCHEMBL3574822

SCHEMBL3574822

CC(C)Oc1ccc(-c2ccc3cc(C(=O)O)n(-c4ccc(OC(C)C)cc4)c3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.71
▸ MCL1 Q07820 7/20 0.47
▸ LDHA P00338 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ BCL2 P10415 3/20 0.43
▸ MDM2 Q00987 3/20 0.43
▸ PIM3 Q86V86 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL3574806 0.90 PTGES (0.85) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL3579996 0.85 PTGES (0.78) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL3574862 0.85 PTGES (0.77) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL3571596 0.84 PTGES (0.72) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL3581438 0.83 PTGES (1.00) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL3570895 0.82 PTGES (0.83) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL3575240 0.82 PTGES (0.76) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL3573824 0.82 PTGES (0.72) PTGESMCL1LDHAALDH1A1TSHR
SCHEMBL4916779 0.82 PTGES (0.53) PTGESMCL1ALDH1A1TSHRKMT2A
SCHEMBL4924661 0.80 PTGES (0.67) PTGESMCL1ALDH1A1TSHRKMT2A

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-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 — — US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 — — EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 — — 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885MCL1 1274/4885LDHA 2118/4885

“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.

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