SCHEMBL11965009

SCHEMBL11965009

CCCn1nc(CC)c(O)c(-c2ccccc2C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.39
BRD4 O60885 1/20 0.38
ESR1 P03372 1/20 0.36
RECQL P46063 1/20 0.36
CMA1 P23946 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
AKR1B1 P15121 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ADORA2B P29275 1/20 0.34
TSHR P16473 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
SCHEMBL11965017 0.91 PTGS2 (0.38) HEXAHEXBPTGS2BRD4ESR1
SCHEMBL11965008 0.90 MAPT (0.43) HEXAHEXBALOX15BRD4RECQL
SCHEMBL8901216 0.88 CASR (0.44) HEXAHEXBALOX15ALDH1A1KDM4E
SCHEMBL12603547 0.88 BRD4 (0.38) HEXAHEXBALOX15BRD4CMA1
SCHEMBL12603548 0.87 MAPT (0.36) HEXAHEXBALOX15BRD4RECQL
SCHEMBL11965006 0.87 PTGS2 (0.40) PTGS2BRD4ESR1ALDH1A1KDM4E
SCHEMBL11965007 0.85 HEXA (0.43) HEXAHEXBALOX15BRD4ALDH1A1
SCHEMBL8902391 0.85 ALDH1A1 (0.46) HEXAHEXBALOX15ALDH1A1AKR1B1
SCHEMBL8901006 0.84 TACR1 (0.42) HEXAHEXBALOX15BRD4GAA
SCHEMBL8901050 0.84 ADRA1A (0.40) BRD4

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 HEXA 959/4885HEXB 483/4885ALOX15 485/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 HEXA 677/4885HEXB 308/4885ALOX15 946/4885

“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.