SCHEMBL6901404

SCHEMBL6901404

CCCCCS(=O)(=O)N1[CH]CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CA2 P00918 2/20 0.33
FKBP1A P62942 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MMP8 P22894 2/20 0.32
MMP3 P08254 1/20 0.32
THRB P10828 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL6897175 0.95 FAAH (0.35) FAAHALDH1A1MAPTCA2FKBP1A
SCHEMBL6897802 0.86 FAAH (0.40) FAAHALDH1A1MAPTCA2FKBP1A
SCHEMBL2645226 0.80 KMT2A (0.31) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL1521743 0.74 TSHR (0.33) ALDH1A1CA2L3MBTL1MEN1KMT2A
SCHEMBL6897801 0.72 FAAH (0.41) FAAHALDH1A1MAPTCA2L3MBTL1
SCHEMBL1069645 0.72 FAAH (0.41) FAAHALDH1A1MAPTCA2L3MBTL1
SCHEMBL6897804 0.72 FAAH (0.41) FAAHALDH1A1MAPTCA2L3MBTL1
SCHEMBL6901401 0.72 FAAH (0.41) FAAHALDH1A1MAPTCA2L3MBTL1
SCHEMBL6901774 0.71 ALDH1A1 (0.41) FAAHALDH1A1MAPTCA2FKBP1A
SCHEMBL6897513 0.71 FAAH (0.34) FAAHALDH1A1MAPTCA2MMP8

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 FAAH 795/4885ALDH1A1 663/4885MAPT 527/4885

“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.