SCHEMBL463204

SCHEMBL463204

CC(C)(C)c1ccc(N2CCC(CCCC(=O)O)CC2)cc1.[LiH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.53
PTGER3 P43115 2/20 0.53
HRH3 Q9Y5N1 1/20 0.47
FFAR4 Q5NUL3 1/20 0.43
TBXA2R P21731 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 3/20 0.40
USP2 O75604 2/20 0.40
GCGR P47871 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL12042028 0.99 PTGER2 (0.54) PTGER2PTGER3HRH3FFAR4TBXA2R
SCHEMBL462264 0.93 HRH3 (0.50) PTGER2PTGER3HRH3MAPTLMNA
SCHEMBL12042054 0.92 HRH3 (0.51) PTGER2PTGER3HRH3MAPTLMNA
SCHEMBL381806 0.87 NOTUM (0.54) HRH3FFAR4
Lithium Ion SCHEMBL463205 0.86 HRH3 (0.46) PTGER2PTGER3HRH3MAPTLMNA
SCHEMBL12042021 0.85 NOTUM (0.56) HRH3FFAR4
SCHEMBL460572 0.85 PTGER2 (0.46) PTGER2PTGER3HRH3MAPTLMNA
SCHEMBL6794719 0.83 FFAR4 (0.51) FFAR4MAPTLMNANPSR1KDM4E
SCHEMBL12041144 0.81 POLB (0.46) HRH3MAPTLMNANPSR1KDM4E
Lithium Ion SCHEMBL462265 0.80 HRH3 (0.48) PTGER2PTGER3HRH3MAPTLMNA

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 5 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
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP 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 PTGER2 2357/4885PTGER3 1933/4885HRH3 311/4885

“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.