SCHEMBL2992405

SCHEMBL2992405

CCCOC(=O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL198658 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL21202163 0.84 TSHR (0.56) HCAR2ALDH1A1TSHRLMNA
SCHEMBL10777181 0.84 TSHR (0.56) HCAR2ALDH1A1TSHRLMNA
SCHEMBL138475 0.83 HCAR2 (0.48) HCAR2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL2294428 0.81 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2TSHRLMNA
SCHEMBL19262246 0.80 DGAT1 (0.31) GAACA12CA1
Water SCHEMBL27557216 0.80 HCAR2 (0.46) HCAR2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL4736567 0.79 HCAR2 (0.39) HCAR2ALDH1A1TSHRLMNAESR1
SCHEMBL78520 0.77 DGAT1 (0.46) ALDH1A1GAASMN1; SMN2TSHRCHRM1
SCHEMBL9267222 0.77 NPSR1 (0.32) TDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786115-B2 Amide derivatives ASTRAZENECA AB (SE) 2010-08-31 US disclosed
US-20080146566-A1 Amide Derivatives ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1915350-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
EP-1831174-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2007020411-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
WO-2006067444-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-06-29 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-20080146566-A1 Amide Derivatives IL6, IL1B, IL1A HCAR2 118/4885ALDH1A1 327/4885GAA 1741/4885

“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.