SCHEMBL2771315

SCHEMBL2771315

COC(=O)c1ccc(C)cc1CC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 1/20 0.47
▸ NR4A2 P43354 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2772400 0.87 CYP46A1 (0.50) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL2771317 0.86 CYP46A1 (0.46) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL19350101 0.84 KDM4E (0.54) CA12CA1CA2CA7CA9
SCHEMBL22072854 0.84 GAA (0.58) CA12CA1CA2CA7PDK2
SCHEMBL12488919 0.83 NR4A2 (0.49) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL2775033 0.83 FFAR4 (0.43) CA12CA1CA2CA7PDK2
SCHEMBL21477173 0.83 KDM4E (0.53) NR4A2CA1CA2HTTGAA
SCHEMBL12858187 0.81 CYP46A1 (0.50) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL25669476 0.80 NR4A2 (0.46) CYP46A1NR4A2TDP1CA12CA1
SCHEMBL6393653 0.80 NR4A2 (0.46) CYP46A1NR4A2TDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 — — US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 — — EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 — — US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 — — 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 CYP46A1 16/4885NR4A2 263/4885TDP1 4431/4885

“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.

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