SCHEMBL6800326

SCHEMBL6800326

NCCCCCCNC(=O)CCc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
ACKR3 P25106 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 1/20 0.43
CHRM2 P08172 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL9447533 0.91 CA12 (0.57) CA12CA2CA9CA1CA3
SCHEMBL6807560 0.87 HPGD (0.48) HPGDL3MBTL1CA12CA2CA9
SCHEMBL6808007 0.86 BCHE (0.47) HPGDL3MBTL1LMNATSHRBCHE
SCHEMBL27527714 0.86 HPGD (0.65) HPGD
SCHEMBL2001669 0.86 HPGD (0.65) HPGD
SCHEMBL5404064 0.86 LMNA (0.57) HPGDL3MBTL1LMNATSHRBCHE
SCHEMBL9785781 0.84 CA12 (0.52) L3MBTL1CA12CA2CA9CA1
Hydrochloric Acid SCHEMBL7769509 0.79 HPGD (0.68) HPGDL3MBTL1LMNATSHRHDAC1
SCHEMBL5415076 0.79 CA1 (0.52) CA12CA2CA9CA1
SCHEMBL1986411 0.79 ALOX15 (0.55) HPGDL3MBTL1ACKR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217575-B2 Avidin derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2007-05-15 US disclosed
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 TAAR1 1205/4885HPGD 1634/4885L3MBTL1 3218/4885

“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.