SCHEMBL11965002

SCHEMBL11965002

CCCn1ncc(O)c(-c2ccccc2C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
ESR1 P03372 1/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 1/20 0.36
ADORA2B P29275 1/20 0.36
TACR1 P25103 2/20 0.35
CASR P41180 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
COMT P21964 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL11965001 0.89 LMNA (0.41) PTGS2BRD4TACR1KDM4EMAPT
SCHEMBL12603542 0.86 MAPT (0.36) PTGS2ALDH1A1ADORA2BTACR1KDM4E
SCHEMBL12603541 0.86 TACR1 (0.37) PTGS2ALDH1A1BRD4TACR1KDM4E
SCHEMBL11910054 0.81 F7 (0.44) PTGS2BRD4TACR1KDM4EMAPT
SCHEMBL23403210 0.80 ESR1 (0.40) PTGS2ESR1POLBALDH1A1MAPT
SCHEMBL11965006 0.78 PTGS2 (0.40) PTGS2ESR1POLBALDH1A1BRD4
SCHEMBL11965009 0.76 HEXA (0.40) PTGS2ESR1ALDH1A1BRD4ADORA2B
SCHEMBL23402792 0.76 TLR8 (0.38) PTGS2ESR1POLBALDH1A1BRD4
SCHEMBL11965017 0.75 PTGS2 (0.38) PTGS2ESR1ALDH1A1BRD4ADORA2B
SCHEMBL11965014 0.75 PTGS2 (0.38) PTGS2ESR1ALDH1A1BRD4ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242055-B2 Herbicidally and insecticidally active phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-08-14 US disclosed
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-22 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 (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-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO PTGS2 1062/4885ESR1 4353/4885POLB 1087/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 PTGS2 1491/4885ESR1 3945/4885POLB 451/4885

“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.