SCHEMBL6746643

SCHEMBL6746643

CSc1c(C(=O)CC(=O)C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.36
FEN1 P39748 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
P2RX7 Q99572 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.32
HTR7 P34969 1/20 0.32
ATM Q13315 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 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
SCHEMBL8389663 0.90 SMN1; SMN2 (0.36) ERCC5FEN1SMN1; SMN2HPGDP2RX7
SCHEMBL8494921 0.88 SMN1; SMN2 (0.35) ERCC5FEN1SMN1; SMN2HPGDP2RX7
SCHEMBL7574482 0.84 HPGD (0.33) SMN1; SMN2HPGDP2RX7KMT2AALDH1A1
SCHEMBL8725793 0.83 KMT2A (0.34) SMN1; SMN2HPGDKMT2AHSD17B10
SCHEMBL8489056 0.82 CYP2D6 (0.33) SMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL8491762 0.82 ERCC5 (0.45) ERCC5FEN1P2RX7TAS1R3TAS1R1
SCHEMBL8388765 0.82 PDE4D (0.36) ERCC5FEN1SMN1; SMN2HPGDTAS1R3
SCHEMBL8813179 0.81 SLC6A4 (0.45) ERCC5FEN1P2RX7TAS1R3TAS1R1
SCHEMBL8490848 0.79 NPC1 (0.36) KMT2AALDH1A1
SCHEMBL8754724 0.78 ALDH1A1 (0.32) KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696613-B2 REACTING NITROHALOBENZENE DERIVATIVE WITH NITROETHANE IN PRESENCE OF A BASE SELECTED FROM THE GROUP CONSISTING OF A HYDROXIDE, A CARBONATE, A HYDRIDE, AN ALKOXIDE OF AN ALKALI OR ALKALINE EARTH METAL, AND GUANIDINE AND SOLVENT RHONE POULENC AGROCHIMIE (FR) 2004-02-24 US disclosed
US-20030097022-A1 Process for preparing diketone compounds and precursors thereto PEVERE VIRGINIE (FR) 2003-05-22 US disclosed
US-6525225-B2 Reacting a nitro-substituted acetophenone with (1) a mercaptan to replace the nitro group with an alkyl- or phenyl-thio group; or (2) nitroethane to replace the acetyl group with a 1-nitroethyl group RHONE POULENC AGROCHIMIE (FR) 2003-02-25 US disclosed
US-20020062045-A1 Process for preparing diketone compounds and precursors thereto PEVERE VIRGINIE (FR) 2002-05-23 US disclosed
EP-0882028-B1 NEW INTERMEDIATES TO PESTICIDES AVENTIS CROPSCIENCE SA (FR) 2002-01-16 EP disclosed
EP-0880498-B1 PROCESS FOR PREPARING DIKETONE COMPOUNDS AVENTIS CROPSCIENCE SA (FR) 2001-11-21 EP disclosed
US-20010014761-A1 Process for preparing diketone compounds and precursors thereto PEVERE VIRGINIE (FR) 2001-08-16 US disclosed
US-6235942-B1 REACTION OF KETONE WITH CYCLOPROPANECARBOXYLIC ESTER TO FORM DIKETONE RHONE-POULENC AGROCHIMIE (FR) 2001-05-22 US disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
EP-0882028-A1 NEW INTERMEDIATES TO PESTICIDES Rhone Poulenc Agro (FR) 1998-12-09 EP disclosed
EP-0880498-A2 PROCESS FOR PREPARING DIKETONE COMPOUNDS RHONE-POULENC AGROCHIMIE (FR) 1998-12-02 EP disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
WO-1997030037-A1 NEW INTERMEDIATES TO PESTICIDES RHONE POULENC AGRO (FR) 1997-08-21 WO disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
WO-1997028122-A2 PROCESS FOR PREPARING DIKETONE COMPOUNDS RHONE-POULENC AGROCHIMIE (FR) 1997-08-07 WO disclosed
EP-0560482-B1 4-Benzoyl isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-08-06 EP disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0560482-A1 4-Benzoyl isoxazoles derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP 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 (3 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-20010014761-A1 Process for preparing diketone compounds and precursors thereto KMO, DHCR7, KHK ERCC5 2133/4885FEN1 4278/4885SMN1; SMN2 3618/4885
US-20030097022-A1 Process for preparing diketone compounds and precursors thereto KMO, DHCR7, KHK ERCC5 2133/4885FEN1 4278/4885SMN1; SMN2 3618/4885
US-20020062045-A1 Process for preparing diketone compounds and precursors thereto KMO, DHCR7, KHK ERCC5 2133/4885FEN1 4278/4885SMN1; SMN2 3618/4885

“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.