SCHEMBL8901653

SCHEMBL8901653

CCCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.33
RECQL P46063 1/20 0.33
CASR P41180 6/20 0.32
AKR1B1 P15121 1/20 0.32
ELANE P08246 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
BRD4 O60885 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL8902356 0.91 HEXA (0.38) RECQLCASRAKR1B1ELANEHEXA
SCHEMBL11965012 0.87 RECQL (0.43) PDE5ARECQLAKR1B1HEXAHEXB
SCHEMBL8901663 0.86 KDM4E (0.33) AKR1B1ELANEHEXAHEXBBRD4
SCHEMBL11965017 0.86 PTGS2 (0.38) PDE5ARECQLAKR1B1HEXAHEXB
SCHEMBL8900862 0.84 ELANE (0.35) CASRELANEBRD4USP2ALDH1A1
SCHEMBL8900915 0.84 PTGS2 (0.35) PDE5ARECQLAKR1B1HEXAHEXB
SCHEMBL8900910 0.83 ALDH1A1 (0.47) PDE5AAKR1B1ALDH1A1
SCHEMBL8902897 0.82 ELANE (0.34) CASRELANEBRD4
SCHEMBL8902466 0.82 CASR (0.42) CASRALDH1A1NR1I2
SCHEMBL12603549 0.81 PDE5A (0.37) PDE5ARECQLBRD4USP2ALDH1A1

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-8188008-B2 Herbicidally and insecticidally active 4-phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-08 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-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 PDE5A 607/4885RECQL 453/4885CASR 3764/4885

“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.