SCHEMBL6798786

SCHEMBL6798786

C[C@@H](OC[C@H]1CO1)c1ccccc1/C=C/CCCC=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL10151098 0.98 CYSLTR2 (0.36) TDP1CYSLTR2CYSLTR1ALDH1A1GLA
SCHEMBL12202626 0.98 CYSLTR2 (0.36) TDP1CYSLTR2CYSLTR1ALDH1A1GLA
SCHEMBL6742848 0.84 PPARG (0.40) CYSLTR2CYSLTR1ALDH1A1MEN1KMT2A
SCHEMBL6743535 0.83 CYSLTR2 (0.39) CYSLTR2CYSLTR1MGLL
SCHEMBL13263804 0.83 CYSLTR2 (0.39) CYSLTR2CYSLTR1MGLL
SCHEMBL2673173 0.83 CYSLTR2 (0.43) TDP1CYSLTR2CYSLTR1MGLL
SCHEMBL2673179 0.83 CYSLTR2 (0.43) TDP1CYSLTR2CYSLTR1MGLL
SCHEMBL2673178 0.83 CYSLTR2 (0.43) TDP1CYSLTR2CYSLTR1MGLL
SCHEMBL2672423 0.80 PAM (0.39) TDP1CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL2672425 0.80 PAM (0.39) TDP1CYSLTR2CYSLTR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 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 (2 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 TDP1 3917/4885CYSLTR2 305/4885CYSLTR1 266/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR TDP1 4784/4885CYSLTR2 182/4885CYSLTR1 158/4885

“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.