SCHEMBL8900915

SCHEMBL8900915

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
PDE5A O76074 2/20 0.35
AURKA O14965 1/20 0.35
SYK P43405 1/20 0.35
AURKB Q96GD4 1/20 0.35
METAP2 P50579 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
RECQL P46063 1/20 0.33
TACR1 P25103 2/20 0.32
AKR1B1 P15121 1/20 0.32
SLC5A1 P13866 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL8900875 0.91 HEXA (0.38) PTGS2PDE5AAURKASYKAURKB
SCHEMBL11965012 0.87 RECQL (0.43) PDE5ARECQLAKR1B1HEXAHEXB
SCHEMBL11965017 0.86 PTGS2 (0.38) PTGS2PDE5AESR1RECQLTACR1
SCHEMBL8902933 0.85 PTGS2 (0.35) PTGS2PDE5AAURKASYKAURKB
SCHEMBL8900869 0.84 PDE5A (0.40) PTGS2PDE5AAURKASYKAURKB
SCHEMBL8901653 0.84 PDE5A (0.33) PDE5ARECQLAKR1B1HEXAHEXB
SCHEMBL8900910 0.83 ALDH1A1 (0.47) PDE5AAKR1B1
SCHEMBL8902466 0.82 CASR (0.42) TACR1
SCHEMBL8902940 0.81 METAP2 (0.38) PTGS2PDE5AAURKASYKAURKB
SCHEMBL12603549 0.81 PDE5A (0.37) PDE5ARECQLTACR1BRD4

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 PTGS2 1419/4885PDE5A 607/4885AURKA 1365/4885

“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.