SCHEMBL6981729

SCHEMBL6981729

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 2/20 0.39
LMNA P02545 2/20 0.39
LTA4H P09960 3/20 0.39
TSHR P16473 1/20 0.39
MCL1 Q07820 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AGER Q15109 1/20 0.38
PPARG P37231 2/20 0.37
MMP2 P08253 1/20 0.37
PPARA Q07869 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP4K4 O95819 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 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
SCHEMBL6981722 0.86 L3MBTL1 (0.44) L3MBTL1EGLN1LMNALTA4HTSHR
SCHEMBL6981517 0.86 L3MBTL1 (0.44) L3MBTL1EGLN1LMNALTA4HTSHR
SCHEMBL14567547 0.82 TAS1R3 (0.44) L3MBTL1LTA4HMAP4K4TAS1R3TAS1R1
SCHEMBL4189484 0.78 MAPT (0.45) L3MBTL1LMNAPPARGPPARATDP1
SCHEMBL13349554 0.71 L3MBTL1 (0.58) L3MBTL1LTA4HTSHRMCL1FFAR1
SCHEMBL8683713 0.71 LIPE (0.52) L3MBTL1EGLN1LMNALTA4HMCL1
SCHEMBL1807043 0.69 L3MBTL1 (0.72) L3MBTL1LMNATSHRMCL1FFAR1
SCHEMBL8582394 0.68 L3MBTL1 (0.61) L3MBTL1LTA4HMCL1FFAR1FFAR4
SCHEMBL13349555 0.68 L3MBTL1 (0.43) L3MBTL1LMNALTA4HTSHRFFAR1
SCHEMBL30888680 0.68 LMNA (0.54) L3MBTL1LMNATSHRMCL1FFAR1

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 3840/4885EGLN1 803/4885LMNA 3294/4885

“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.