SCHEMBL6808007

SCHEMBL6808007

NNC(=O)CCCCCNC(=O)CCc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
CHRM2 P08172 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 7/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC10 Q969S8 7/20 0.45
HDAC11 Q96DB2 7/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC6 Q9UBN7 7/20 0.45
HDAC4 P56524 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC9 Q9UKV0 6/20 0.45
HDAC5 Q9UQL6 6/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL6800326 0.86 TAAR1 (0.49) BCHECHRM2ACHEHDAC1HDAC2
SCHEMBL5404064 0.86 LMNA (0.57) BCHECHRM2ACHEHDAC3HDAC1
SCHEMBL2320246 0.85 GAA (0.58) ALDH1A1GAAMAPTTSHRL3MBTL1
SCHEMBL6807560 0.85 HPGD (0.48) BCHECHRM2ACHEGAAHDAC1
SCHEMBL2001669 0.83 HPGD (0.65) MAPTHPGD
SCHEMBL27527714 0.83 HPGD (0.65) MAPTHPGD
SCHEMBL8172903 0.82 CA1 (0.41) BCHECHRM2ACHEMAPT
SCHEMBL9447533 0.80 CA12 (0.57) TSHR
SCHEMBL6807676 0.79 MEN1 (0.42) BCHECHRM2ACHEALDH1A1LMNA
SCHEMBL6802710 0.78 CYP3A4 (0.47) BCHECHRM2ACHEMAPTHPGD

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 BCHE 124/4885CHRM2 1278/4885ACHE 2105/4885

“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.