SCHEMBL6808130

SCHEMBL6808130

O=C(CCc1ccccc1O)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
BCHE P06276 3/20 0.40
CHRM2 P08172 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HPGD P15428 2/20 0.38
F13A1 P00488 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6808487 0.90 ACHE (0.38) ACHEBCHECHRM2SMN1; SMN2ALDH1A1
SCHEMBL8181319 0.85 ADRB2 (0.36) ACHEBCHECHRM2SMN1; SMN2ALDH1A1
SCHEMBL2102802 0.85 HPGD (0.54) SMN1; SMN2ALDH1A1NAMPTHDAC3HDAC4
SCHEMBL5409417 0.83 PSMB8 (0.41) ALDH1A1
SCHEMBL17168743 0.82 SMN1; SMN2 (0.50) ACHEBCHECHRM2SMN1; SMN2ALDH1A1
SCHEMBL26382038 0.82 SMN1; SMN2 (0.50) ACHEBCHECHRM2SMN1; SMN2ALDH1A1
SCHEMBL17767809 0.82 SMN1; SMN2 (0.50) ACHEBCHECHRM2SMN1; SMN2ALDH1A1
SCHEMBL17767812 0.82 SMN1; SMN2 (0.50) ACHEBCHECHRM2SMN1; SMN2ALDH1A1
SCHEMBL20999873 0.82 SMN1; SMN2 (0.50) ACHEBCHECHRM2SMN1; SMN2ALDH1A1
SCHEMBL21117960 0.81 SMN1; SMN2 (0.49) ACHEBCHECHRM2SMN1; SMN2ALDH1A1

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-20040067229-A1 Azobenzene derivatives as labeling agents and intermediates thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-08 US disclosed
US-6602987-B1 4'-hydroxyazobenzene-2-carboxylic acid (HABA) compounds; useful as reagents for labeling, isolation and detection of biological molecules YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2003-08-05 US disclosed
WO-2000027813-A1 AZOBENZENE DERIVATIVES AS LABELING AGENTS AND INTERMEDIATES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-05-18 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-20040067229-A1 Azobenzene derivatives as labeling agents and intermediates thereof CBR1, CBR3, HBB ACHE 2105/4885BCHE 124/4885CHRM2 1278/4885

“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.