SCHEMBL80618

SCHEMBL80618

Cc1cc([N+](=O)[O-])c(C)cc1Oc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.53
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 2/20 0.44
ALOX5 P09917 2/20 0.44
PTGES O14684 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPRT1 P00492 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ESRRA P11474 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 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
SCHEMBL11031492 0.81 LMNA (0.58) PIN1ALDH1A1LMNAMAPTTSHR
SCHEMBL10423034 0.81 ALDH1A1 (0.56) PIN1ALDH1A1LMNAMAPTHTT
SCHEMBL11030748 0.81 ALOX5 (0.52) PIN1ALDH1A1LMNAMAPTHTT
SCHEMBL20222275 0.81 ALDH1A1 (0.65) PIN1ALDH1A1LMNAMAPTHTT
SCHEMBL3318989 0.78 SMN1; SMN2 (0.53) ALDH1A1LMNAMAPTHTTTSHR
SCHEMBL31556306 0.78 SMN1; SMN2 (0.53) ALDH1A1LMNAMAPTHTTTSHR
SCHEMBL10145854 0.77 L3MBTL1 (0.59) ALDH1A1LMNAMAPTHTTRECQL
SCHEMBL10422427 0.76 ALDH1A1 (0.68) PIN1ALDH1A1LMNAMAPTHTT
SCHEMBL27713193 0.76 HSPB1 (0.66) PIN1ALDH1A1LMNAMAPTHTT
SCHEMBL22772283 0.76 L3MBTL1 (0.51) PIN1ALDH1A1LMNAMAPTHTT

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
EP-1931623-B1 PESTICIDE NAPHTHYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER IP GMBH (DE) 2016-04-13 EP disclosed
US-8129558-B2 Pesticide naphthyloxy substituted phenylamidine derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20090143431-A1 PESTICIDE NAPHTHYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-06-04 US disclosed
EP-1931623-A1 PESTICIDE NAPHTHYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES Bayer CropScience AG (DE) 2008-06-18 EP disclosed
WO-2007093227-A1 PESTICIDE NAPHTHYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-08-23 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-20090143431-A1 PESTICIDE NAPHTHYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES DDT, PNPO, PFAS PIN1 202/4885ALDH1A1 2204/4885LMNA 822/4885

“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.