SCHEMBL6449902

SCHEMBL6449902

O=C1CCCC(=O)C1C(=O)c1ccc(Cl)c(NC(=O)N2CCCC2=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HPD P32754 1/20 0.32
RAB9A P51151 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CECR2 Q9BXF3 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
SCHEMBL6448378 0.85 DRD1 (0.30)
SCHEMBL2905370 0.84 DRD1 (0.31) HPD
SCHEMBL6447196 0.81 MAPT (0.42) KDM4EMEN1MAPTCYP2C9CYP2C19
SCHEMBL2902825 0.79 HPD (0.36) LMNAHPDATAD2CECR2
SCHEMBL10376030 0.73 HPD (0.42) HPD
SCHEMBL6449853 0.73 PKM (0.41) MEN1KMT2AHPDRAB9A
SCHEMBL6558204 0.72 P2RX7 (0.45)
SCHEMBL6903439 0.70 P2RX7 (0.35)
SCHEMBL2904657 0.64 LMNA (0.33) LMNA
SCHEMBL2905106 0.64 CLCN2 (0.38) MEN1CYP1A2CYP2D6MAPTCYP2C9

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-20050090397-A1 Herbicides made from substituted aryl ketones BAYER CROPSCIENCE AG (GB) 2005-04-28 US disclosed
EP-1423009-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-06-02 EP disclosed
WO-2003017766-A2 HERBICIDES MADE FROM SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2003-03-06 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 (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-20050090397-A1 Herbicides made from substituted aryl ketones DDT, CBR3, CBR1 ITGB1 4711/4885ITGA4 4616/4885KDM4E 969/4885

“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.