SCHEMBL6981722

SCHEMBL6981722

COc1c(F)ccc2ccc(Oc3ccc(OCCC(=O)O)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 4/20 0.42
FFAR1 O14842 4/20 0.40
FFAR4 Q5NUL3 3/20 0.40
LMNA P02545 1/20 0.39
EGLN1 Q9GZT9 2/20 0.37
MMP2 P08253 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
AGER Q15109 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL6981517 0.86 L3MBTL1 (0.44) L3MBTL1LTA4HFFAR1FFAR4LMNA
SCHEMBL6981729 0.86 L3MBTL1 (0.44) L3MBTL1LTA4HFFAR1FFAR4LMNA
SCHEMBL14573199 0.82 MAP4K4 (0.39) L3MBTL1LTA4HMAP4K4TSHR
SCHEMBL4168700 0.78 GAA (0.41) LMNAMAPT
SCHEMBL13349554 0.71 L3MBTL1 (0.58) L3MBTL1LTA4HFFAR1FFAR4MMP2
SCHEMBL3400416 0.71 MTNR1A (0.41)
SCHEMBL1807043 0.69 L3MBTL1 (0.72) L3MBTL1FFAR1LMNAMMP2MAPT
SCHEMBL8683713 0.69 LIPE (0.52) L3MBTL1LTA4HLMNAEGLN1MMP2
SCHEMBL13349555 0.68 L3MBTL1 (0.43) L3MBTL1LTA4HFFAR1FFAR4LMNA
SCHEMBL21991836 0.68 LMNA (0.54) L3MBTL1FFAR1FFAR4LMNAMMP2

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-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 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-20090069372-A1 ANTITUMOR AGENTS NHERF1, BACH1, MCL1 L3MBTL1 3840/4885LTA4H 3404/4885FFAR1 4174/4885

“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.