SCHEMBL5079550

SCHEMBL5079550

CCON=C(C(=O)O)c1ccccc1COc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.40
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.38
HIF1A Q16665 3/20 0.37
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
RORC P51449 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 1/20 0.35
KMT2A Q03164 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
SCHEMBL6149906 0.92 HIF1A (0.46) OPRL1MAPTNPSR1HPGDHIF1A
SCHEMBL6149902 0.92 HIF1A (0.46) OPRL1MAPTNPSR1HPGDHIF1A
SCHEMBL5080576 0.85 PGR (0.38) HIF1ARAB9AMAOB
SCHEMBL5080586 0.85 HIF1A (0.43) OPRL1HIF1A
SCHEMBL5079546 0.84 HIF1A (0.56) OPRL1MAPTNPSR1POLBMAPK1
SCHEMBL6151532 0.83 OPRL1 (0.42) OPRL1MAPTNPSR1TDP1KDM4E
SCHEMBL5080481 0.83 OPRL1 (0.42) OPRL1MAPTNPSR1TDP1KDM4E
SCHEMBL5074634 0.82 HIF1A (0.45) OPRL1MAPTNPSR1TDP1KDM4E
SCHEMBL5074639 0.82 HIF1A (0.45) OPRL1MAPTNPSR1TDP1KDM4E
SCHEMBL5080482 0.82 OPRL1 (0.45) OPRL1MAPTNPSR1TDP1HPGD

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-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT OPRL1 3733/4885MAPT 883/4885NPSR1 1758/4885

“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.