SCHEMBL4113161

SCHEMBL4113161

O=C(CF)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.70
NR4A1 P22736 1/20 0.70
NR4A3 Q92570 1/20 0.70
MAOB P27338 1/20 0.66
PARP10 Q53GL7 1/20 0.66
SRD5A2 P31213 1/20 0.64
EGFR P00533 4/20 0.62
PLA2G4B P0C869 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL1960673 0.85 NR4A1 (0.72) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL4220632 0.85 NR4A1 (0.72) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL27517502 0.84 EGFR (0.68) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL102983 0.83 RAB9A (0.83) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL2013554 0.83 PARP10 (0.71) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL2686570 0.83 NR4A1 (0.70) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL41220 0.83 NR4A1 (0.70) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL7342141 0.83 NR4A2 (0.70) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL9718167 0.83 NR4A1 (0.70) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL6830467 0.82 NR4A2 (1.00) NR4A2NR4A1NR4A3MAOBPARP10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143482-A1 Pesticidal Substituted Phenylethers MERIAL LIMITED 2009-06-04 US disclosed
US-20080293824-A1 Pesticidal substituted piperidines MERIAL LIMITED 2008-11-27 US disclosed
EP-1879454-A1 PESTICIDAL SUBSTITUTED PHENYLETHERS Merial Ltd. (US) 2008-01-23 EP disclosed
WO-2006119876-A1 PESTICIDAL SUBSTITUTED PHENYLETHERS MERIAL LTD. (GR) 2006-11-16 WO disclosed
EP-0433826-B1 Fluorophenylpyridines HOECHST AG (DE) 1996-07-10 EP disclosed
US-5204476-A For use in chiral tilted smectic liquid crystal phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
EP-0433826-A2 Fluorophenylpyridines HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-26 EP disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
EP-0288297-A2 Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-10-26 EP 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 (2 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-20080293824-A1 Pesticidal substituted piperidines ACHE, PNMT, DDT NR4A2 2856/4885NR4A1 3249/4885NR4A3 2894/4885
US-20090143482-A1 Pesticidal Substituted Phenylethers DDT, ACHE, PNMT NR4A2 2291/4885NR4A1 2776/4885NR4A3 2269/4885

“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.