SCHEMBL3000561

SCHEMBL3000561

CC(C)Oc1ccc(-n2c(C(=O)O)c(CN3CCOCC3)c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.55
PPARG P37231 10/20 0.41
PPARA Q07869 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCL2 P10415 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 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
SCHEMBL3007629 0.91 PTGES (0.56) PTGESPPARGPPARA
SCHEMBL3000522 0.90 PTGES (0.48) PTGESALDH1A1KDM4ENPC1HPGD
SCHEMBL3002045 0.84 PTGES (0.59) PTGESPPARGPPARA
Hydrochloric Acid SCHEMBL334147 0.82 PTGES (0.51) PTGESPPARGPPARA
Hydrochloric Acid SCHEMBL333803 0.81 PTGES (0.57) PTGESPPARGPPARA
SCHEMBL4027503 0.81 PTGES (0.71) PTGESPPARGPPARA
SCHEMBL3013332 0.81 PTGES (0.56) PTGESPPARGPPARA
Hydrochloric Acid SCHEMBL333805 0.80 PTGES (0.55) PTGESPPARGPPARA
Hydrochloric Acid SCHEMBL3007565 0.80 PTGES (0.55) PTGESPPARGPPARA
Hydrochloric Acid SCHEMBL3016500 0.80 PTGES (0.55) PTGESPPARGPPARA

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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 PTGES 33/4885PPARG 2505/4885PPARA 3519/4885

“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.