SCHEMBL3576474

SCHEMBL3576474

CC(C)(C)c1ccc(-c2ccc3c(c2)cc(C(=O)O)n3-c2ccc(OC3CC3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.71
CCR9 P51686 2/20 0.39
LDHA P00338 1/20 0.39
ACACB O00763 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
KCNH2 Q12809 1/20 0.37
PPARG P37231 6/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL3578255 0.96 PTGES (0.69) PTGESCCR9LDHAACACBALDH1A1
SCHEMBL3572573 0.88 PTGES (0.56) PTGESACACBALDH1A1HRH3KCNH2
SCHEMBL4228938 0.87 PTGES (0.57) PTGESCCR9ACACBALDH1A1HRH3
SCHEMBL3001562 0.86 PTGES (0.54) PTGESACACBHRH3KCNH2
SCHEMBL4697234 0.84 MAP4K4 (0.53) PTGESLDHAALDH1A1TSHRKCNH2
SCHEMBL4228521 0.84 PTGES (0.54) PTGESACACBALDH1A1KDM4EHPGD
SCHEMBL3578399 0.83 PTGES (0.74) PTGESCCR9LDHAALDH1A1TSHR
SCHEMBL3581438 0.83 PTGES (1.00) PTGESCCR9LDHAALDH1A1TSHR
SCHEMBL4228535 0.83 PTGES (0.53) PTGESCCR9ACACBALDH1A1HRH3
SCHEMBL4218509 0.82 PTGES (0.52) PTGESACACB

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 3/4885CCR9 1323/4885LDHA 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.