SCHEMBL6091802

SCHEMBL6091802

CC(C)Oc1ccc(-c2ccc3c(-c4ccccc4OC(C)C)c(C(=O)O)n(Cc4cccc(Cl)c4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.50
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.46
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41
YWHAH Q04917 2/20 0.40
S1PR3 Q99500 1/20 0.39
PPARG P37231 1/20 0.39
CCR2 P41597 1/20 0.39
P2RX3 P56373 1/20 0.38
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
MAP2 P11137 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
SCHEMBL6093568 0.91 PTGES (0.54) PTGESTP53POLBYWHAHS1PR3
SCHEMBL6091132 0.90 PTGES (0.55) PTGESTP53POLBADRB1ADRB3
SCHEMBL5739167 0.89 PTGES (0.46) PTGESCCR2EDNRBEDNRA
SCHEMBL6091214 0.88 PTGES (0.51) PTGESTP53POLBADRB1ADRB3
SCHEMBL6091968 0.86 PTGES (0.52) PTGESTP53POLBYWHAHS1PR3
SCHEMBL6090090 0.80 PPARG (0.41) TP53PPARG
SCHEMBL6089483 0.79 TP53 (0.44) PTGESTP53POLBADRB1ADRB3
SCHEMBL5738857 0.78 SERPINE1 (0.56) PTGESTP53POLBPPARGEDNRB
SCHEMBL6091691 0.78 TP53 (0.44) PTGESTP53POLBADRB1ADRB3
SCHEMBL6092963 0.78 TP53 (0.43) PTGESTP53YWHAHPPARG

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-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 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-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 PTGES 4/4885TP53 2032/4885POLB 3825/4885

“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.