SCHEMBL6881676

SCHEMBL6881676

COC(=O)CC1CCCC(N)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
SMYD3 Q9H7B4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
LTA4H P09960 1/20 0.34
EPHX2 P34913 3/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.32
TLR4 O00206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL6881679 1.00 BRD4 (0.39) BRD4SMYD3ALDH1A1L3MBTL1POLB
SCHEMBL6881684 1.00 BRD4 (0.39) BRD4SMYD3ALDH1A1L3MBTL1POLB
SCHEMBL6638977 0.96 BRD4 (0.39) BRD4SMYD3ALDH1A1L3MBTL1POLB
SCHEMBL6826955 0.83 SMYD3 (0.39) SMYD3ALDH1A1L3MBTL1POLBEPHX2
SCHEMBL6882324 0.83 HPGD (0.41) ALDH1A1EPHX2KMT2ATSHRSMN1; SMN2
SCHEMBL6826953 0.83 SMYD3 (0.39) SMYD3ALDH1A1L3MBTL1POLBEPHX2
SCHEMBL6826951 0.83 SMYD3 (0.39) SMYD3ALDH1A1L3MBTL1POLBEPHX2
SCHEMBL6882320 0.83 HPGD (0.41) ALDH1A1EPHX2KMT2ATSHRSMN1; SMN2
SCHEMBL6988937 0.83 SMYD3 (0.39) SMYD3ALDH1A1L3MBTL1POLBEPHX2
SCHEMBL6882316 0.83 HPGD (0.41) ALDH1A1EPHX2KMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 BRD4 2719/4885SMYD3 4024/4885ALDH1A1 563/4885

“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.