SCHEMBL3584720

SCHEMBL3584720

CC(C)(C)c1ccc(-c2ccc3c(c2)cc(C(=O)O)n3-c2ccc(/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.65
NR1H4 Q96RI1 2/20 0.50
RXRA P19793 1/20 0.50
ESR1 P03372 2/20 0.42
CYP1A2 P05177 1/20 0.42
LDHA P00338 1/20 0.40
PLA2G10 O15496 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
CYP26B1 Q9NR63 5/20 0.38
CYP26A1 O43174 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 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
SCHEMBL3584722 1.00 PTGES (0.65) PTGESNR1H4RXRAESR1CYP1A2
SCHEMBL3569788 0.83 PTGES (0.71) PTGESNR1H4LDHAALDH1A1TSHR
SCHEMBL3567316 0.83 PTGES (0.71) PTGESNR1H4LDHAALDH1A1TSHR
SCHEMBL3573984 0.81 PTGES (0.67) PTGESNR1H4RXRALDHAALDH1A1
SCHEMBL3577508 0.80 PTGES (0.66) PTGESLDHAALDH1A1TSHR
SCHEMBL3581438 0.79 PTGES (1.00) PTGESNR1H4RXRALDHAALDH1A1
SCHEMBL3578399 0.79 PTGES (0.74) PTGESNR1H4LDHAALDH1A1TSHR
SCHEMBL4805633 0.77 CYP1A2 (0.68) NR1H4RXRAESR1CYP1A2ALDH1A1
SCHEMBL3579604 0.77 PTGES (0.63) PTGESNR1H4LDHAALDH1A1TSHR
SCHEMBL3567571 0.77 PTGES (0.71) PTGESNR1H4LDHAALDH1A1TSHR

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 3/4885NR1H4 296/4885RXRA 892/4885

“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.