SCHEMBL12059986

SCHEMBL12059986

CC(C)COc1cc(OC2CCN(C(=O)CCN3CCC(c4ccc(C(F)(F)F)cc4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.40
ENPP2 Q13822 3/20 0.38
TLR9 Q9NR96 4/20 0.37
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 4/20 0.37
EPHX2 P34913 1/20 0.36
ADRB2 P07550 1/20 0.36
MC4R P32245 1/20 0.35
P2RY14 Q15391 1/20 0.35
CA2 P00918 1/20 0.35
STAT3 P40763 1/20 0.35
CCR2 P41597 1/20 0.35
PIK3CA P42336 1/20 0.35
PRKAA2 P54646 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
SCHEMBL12043022 0.93 TLR9 (0.36) LIPETLR9TLR8TLR7
SCHEMBL12059911 0.92 LIPE (0.41) LIPEENPP2EPHX2ADRB2P2RY14
SCHEMBL12043031 0.91 ALDH1A1 (0.41) TLR9TLR8TLR7
SCHEMBL12043042 0.91 DRD2 (0.39) TLR9TLR8TLR7
SCHEMBL12043030 0.90 MCHR1 (0.41) TLR9TLR8TLR7
SCHEMBL12059663 0.90 LIPE (0.42) LIPEENPP2EPHX2ADRB2P2RY14
SCHEMBL12060091 0.90 CARM1 (0.42) LIPEENPP2ADRB2
SCHEMBL12060092 0.90 ENPP2 (0.46) LIPEENPP2MC4R
SCHEMBL12043047 0.89 TLR9 (0.40) TLR9TLR8TLR7
SCHEMBL12043052 0.89 MEN1 (0.39) TLR9TLR8TLR7

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-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO LIPE 1644/4885ENPP2 196/4885TLR9 4432/4885

“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.