SCHEMBL12059663

SCHEMBL12059663

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.42
PIK3CA P42336 1/20 0.40
PRKAA2 P54646 1/20 0.40
P2RY14 Q15391 2/20 0.39
PDE4B Q07343 1/20 0.39
ENPP2 Q13822 1/20 0.38
ADRB2 P07550 1/20 0.38
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ADAM17 P78536 1/20 0.37
CA2 P00918 1/20 0.37
TRPC6 Q9Y210 3/20 0.37
EPHX2 P34913 1/20 0.37
RBP4 P02753 1/20 0.36

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
SCHEMBL12043181 0.93 PDE4B (0.39) PDE4BALDH1A1LMNAMAPTHPGD
SCHEMBL12059911 0.92 LIPE (0.41) LIPEP2RY14ENPP2ADRB2STAT3
SCHEMBL12042907 0.92 DRD2 (0.43) PDE4BALDH1A1LMNAMAPTHPGD
SCHEMBL12042904 0.90 PDE4B (0.41) PDE4BALDH1A1LMNAMAPTHPGD
SCHEMBL12059986 0.90 LIPE (0.40) LIPEPIK3CAPRKAA2P2RY14ENPP2
SCHEMBL13158282 0.90 LIPE (0.42) LIPEP2RY14ENPP2ADRB2STAT3
SCHEMBL12042901 0.90 MCHR1 (0.42) PDE4BALDH1A1LMNAMAPTHPGD
SCHEMBL15996874 0.89 CARM1 (0.45) LIPEPRKAA2ENPP2ADRB2STAT3
SCHEMBL12059974 0.89 ENPP2 (0.47) LIPEENPP2ALDH1A1LMNAMAPT
SCHEMBL12042909 0.88 PDE4B (0.41) PDE4BALDH1A1LMNAMAPTHPGD

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 2 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

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 1644/4885PIK3CA 2147/4885PRKAA2 4273/4885

“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.