SCHEMBL6894873

SCHEMBL6894873

CCCCCS(=O)(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 2/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 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
SCHEMBL2817480 1.00 L3MBTL1 (0.42) L3MBTL1TSHRMAPK1RECQLKMT2A
SCHEMBL18937755 0.98 FAAH (0.43) L3MBTL1TSHRMAPK1RECQLKMT2A
SCHEMBL7863051 0.98 FAAH (0.43) L3MBTL1TSHRMAPK1RECQLKMT2A
SCHEMBL1069645 0.98 FAAH (0.41) L3MBTL1TSHRMAPK1RECQLKMT2A
SCHEMBL6901401 0.98 FAAH (0.41) L3MBTL1TSHRMAPK1RECQLKMT2A
SCHEMBL24767441 0.96 FAAH (0.45) L3MBTL1TSHRMAPK1RECQLKMT2A
SCHEMBL1321117 0.94 TSHR (0.44) L3MBTL1TSHRMAPK1RECQLKMT2A
SCHEMBL6897801 0.94 FAAH (0.41) L3MBTL1TSHRMAPK1RECQLFAAH
SCHEMBL6897804 0.94 FAAH (0.41) L3MBTL1TSHRMAPK1RECQLFAAH
SCHEMBL13013076 0.91 L3MBTL1 (0.41) L3MBTL1TSHRMAPK1RECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734311-B2 ANTIINFLAMMATORY AGENTS; ALZHEIMER'S DISEASE; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2004-05-11 US disclosed
US-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2003-05-15 US 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-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion VCAM1, CD4, ICAM1 L3MBTL1 2016/4885TSHR 1467/4885MAPK1 604/4885

“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.