SCHEMBL7086774

SCHEMBL7086774

O=C(CCC(=O)NC1CCCCC1)CCC(=O)ONC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
NCOR2 Q9Y618 1/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.42

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
SCHEMBL2998396 0.85 EPHX1 (0.44) ALDH1A1SMN1; SMN2HPGDKMT2ANPSR1
SCHEMBL10587847 0.79 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2HPGDKMT2ANPSR1
SCHEMBL11325844 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTGAAHDAC3
SCHEMBL29061111 0.76 EPHX2 (0.50) ALDH1A1SMN1; SMN2GAAHDAC3HDAC1
SCHEMBL24856036 0.76 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL28203533 0.75 TSHR (0.38) SMN1; SMN2EPHX1TSHR
SCHEMBL5932290 0.75 EPHX1 (0.43) ALDH1A1SMN1; SMN2NPSR1EPHX1
SCHEMBL18909677 0.73 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL28819069 0.72 NAAA (0.50) EPHX1
SCHEMBL20650992 0.72 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6657069-B2 Reacting 6-aminocarbonylmethyl-4H-2,3- dioxin-4-one compound with alcohol or water to produce 3-oxopentanedicarboxylic acid amide esters; decyclization DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-02 US disclosed
US-20030130519-A1 Amido compounds and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-10 US disclosed
US-6548674-B2 6-aminocarbonylmethyl-4H-1,3-dioxin-4-ones made by reacting a 6-halomethyl-4H-1,3-dioxin-4-ones with primary or secondary amine and carbon monoxide; intermediate to 3-oxopentanedicarboxylic acid amides for drugs, polyamides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20010023297-A1 Amido compounds and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-09-20 US disclosed
EP-1132386-A1 Amido compounds and process for producing the same Daicel Chemical Industries, Ltd. (JP) 2001-09-12 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 (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-20030130519-A1 Amido compounds and process for producing the same PAM, HAAO, DAO ALDH1A1 664/4885SMN1; SMN2 3719/4885HPGD 320/4885
US-20010023297-A1 Amido compounds and process for producing the same PAM, HAAO, DAO ALDH1A1 664/4885SMN1; SMN2 3719/4885HPGD 320/4885

“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.