SCHEMBL4528123

SCHEMBL4528123

COc1cccc(C(O)C2c3ccccc3Cc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
HSD17B2 P37059 1/20 0.46
AOC3 Q16853 2/20 0.43
GID4 Q8IVV7 1/20 0.43
HRH1 P35367 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN2B Q13224 1/20 0.42
DRD1 P21728 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4039398 0.91 GID4 (0.49) HTR2AHSD17B2AOC3GID4L3MBTL1
SCHEMBL15617731 0.78 HTR2A (0.62) HTR2AGID4HRH1DRD1
SCHEMBL4155180 0.77 DRD1 (0.41) HTR2AGID4DRD1MEN1ALDH1A1
SCHEMBL4157911 0.77 GID4 (0.48) HTR2AHSD17B2GID4GRIN2BDRD1
SCHEMBL28787874 0.75 AOC3 (0.54) HSD17B2AOC3L3MBTL1GRIN2BPOLB
SCHEMBL4170076 0.73 CETP (0.46) L3MBTL1GRIN2BALDH1A1
SCHEMBL4043081 0.72 SLC18A3 (0.41) HTR2AKMT2A
SCHEMBL5211730 0.71 HSD17B2 (0.49) HSD17B2AOC3L3MBTL1GRIN2BPOLB
SCHEMBL12262750 0.71 HTR2A (0.56) HTR2AGID4HRH1DRD1
SCHEMBL2087869 0.70 AOC3 (0.59) AOC3L3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO 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-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators NR3C2, NR3C1, NR5A1 HTR2A 1005/4885HSD17B2 32/4885AOC3 3703/4885

“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.