SCHEMBL6748550

SCHEMBL6748550

Cc1scc(Cl)c1C(=O)CC(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.32
FEN1 P39748 1/20 0.32
SHMT2 P34897 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
ABL1 P00519 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL7177405 0.91
SCHEMBL8308963 0.69 DPP4 (0.43) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL8813179 0.67 SLC6A4 (0.45) KMT2AMEN1RAB9ANPC1FEN1
SCHEMBL9019946 0.67 TAS1R3 (0.42)
SCHEMBL9019967 0.67 TAS1R3 (0.36)
SCHEMBL7705486 0.66 GSK3B (0.56) KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9237893 0.64 MAPT (0.34) HPGDKMT2AMEN1MAPTFEN1
SCHEMBL19806639 0.64 ERCC5 (0.55) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL8100211 0.64 ATM (0.51) HPGDKMT2AALDH1A1
SCHEMBL8491762 0.64 ERCC5 (0.45) KMT2AMEN1FEN1P2RX7

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 8 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-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-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
EP-0880498-A2 PROCESS FOR PREPARING DIKETONE COMPOUNDS RHONE-POULENC AGROCHIMIE (FR) 1998-12-02 EP disclosed
WO-1997028122-A2 PROCESS FOR PREPARING DIKETONE COMPOUNDS RHONE-POULENC AGROCHIMIE (FR) 1997-08-07 WO 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-20010014761-A1 Process for preparing diketone compounds and precursors thereto KMO, DHCR7, KHK HPGD 3133/4885KMT2A 772/4885MEN1 3767/4885
US-20020062045-A1 Process for preparing diketone compounds and precursors thereto KMO, DHCR7, KHK HPGD 3133/4885KMT2A 772/4885MEN1 3767/4885

“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.