SCHEMBL3006136

SCHEMBL3006136

CCOC(=O)C=Cc1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.44
CCNC P24863 3/20 0.35
CDK8 P49336 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
KCNH2 Q12809 2/20 0.35
ACACB O00763 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
APP P05067 1/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL3006135 1.00 PTGES (0.44) PTGESCCNCCDK8NR1H4KCNH2
SCHEMBL3002563 0.89 PTGES (0.49) PTGESNR1H4KCNH2ACACBMAPT
SCHEMBL3002560 0.89 PTGES (0.49) PTGESNR1H4KCNH2ACACBMAPT
SCHEMBL3001562 0.84 PTGES (0.54) PTGESKCNH2ACACBMAOAMAOB
SCHEMBL3008151 0.83 PTGES (0.47) PTGESKCNH2ACACBMAPTLMNA
SCHEMBL3000520 0.81 PTGES (0.45) PTGESKCNH2ACACBMAOAMAOB
SCHEMBL3572573 0.81 PTGES (0.56) PTGESKCNH2ACACBMAOAMAOB
SCHEMBL4227306 0.80 PTGES (0.49) PTGESACACBCYP2C9CYP2C19MAPT
SCHEMBL3578255 0.79 PTGES (0.69) PTGESNR1H4ACACBMAPTAPP
SCHEMBL2997604 0.78 PTGES (0.42) PTGESNR1H4KCNH2ACACBMAOA

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 33/4885CCNC 2198/4885CDK8 3133/4885

“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.