SCHEMBL2770096

SCHEMBL2770096

CCOC(=O)C(=O)CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
FAAH O00519 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TLR4 O00206 1/20 0.35
METAP2 P50579 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4590410 0.96 ALDH1A1 (0.39) MAPTGAAALDH1A1L3MBTL1METAP2
SCHEMBL4737887 0.94 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1METAP2TDP1
SCHEMBL113236 0.92 MAPT (0.41) MAPTGAAALDH1A1NPSR1GLO1
SCHEMBL7639000 0.83 GRM1 (0.40) MAPTGAAALDH1A1NPSR1GLO1
SCHEMBL6160281 0.83 ALDH1A1 (0.39) MAPTALDH1A1L3MBTL1METAP2TDP1
Water SCHEMBL6160278 0.82 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1METAP2TDP1
SCHEMBL28053511 0.82 METAP2 (0.37) GAAALDH1A1L3MBTL1METAP2TDP1
Hydrochloric Acid SCHEMBL27995381 0.82 GNAI3 (0.39) MAPTGAA
SCHEMBL15565165 0.80 HPGD (0.40) GAAALDH1A1L3MBTL1METAP2TDP1
SCHEMBL1881523 0.79 ALDH1A1 (0.46) GAAALDH1A1L3MBTL1TDP1

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 MAPT 3995/4885GAA 745/4885ALDH1A1 2072/4885

“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.