SCHEMBL2997608

SCHEMBL2997608

CCOC(=O)CNCCc1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.42
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACACB O00763 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
GCGR P47871 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
S1PR3 Q99500 1/20 0.32
ACSL1 P33121 1/20 0.32
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3010113 0.91 PTGES (0.46) PTGESMAPTACACBLMNAKDM4E
SCHEMBL3000520 0.90 PTGES (0.45) PTGESCYP2C9CYP2C19MAPTMAOA
SCHEMBL2997604 0.85 PTGES (0.42) PTGESCYP2C9CYP2C19MAPTMAOA
SCHEMBL4227306 0.85 PTGES (0.49) PTGESCYP2C9CYP2C19MAPTACACB
SCHEMBL3006124 0.83 PTGES (0.49) PTGESMAPTACACBLMNAKDM4E
SCHEMBL3001562 0.81 PTGES (0.54) PTGESCYP2C9CYP2C19MAPTMAOA
SCHEMBL3005797 0.81 PTGES (0.47) PTGESMAPTACACBLMNAKDM4E
SCHEMBL3572573 0.78 PTGES (0.56) PTGESCYP2C9CYP2C19MAPTMAOA
SCHEMBL3006135 0.78 PTGES (0.44) PTGESCYP2C9CYP2C19MAPTMAOA
SCHEMBL3006136 0.78 PTGES (0.44) PTGESCYP2C9CYP2C19MAPTMAOA

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 33/4885CYP2C9 1703/4885CYP2C19 1417/4885

“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.