SCHEMBL6741923

SCHEMBL6741923

COc1cccc([C@@H](C)OC[C@H]2CO2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR1A P08908 6/20 0.32
ADRA1A P35348 5/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
ADRA1D P25100 4/20 0.31
ADRA1B P35368 4/20 0.31
PTPN1 P18031 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
SCHEMBL17226995 1.00 ALDH1A1 (0.40) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6792269 0.88 ALDH1A1 (0.42) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6742603 0.88 ALDH1A1 (0.39) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL12203788 0.88 ALDH1A1 (0.39) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6742561 0.88 ALDH1A1 (0.42) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL4609577 0.87 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL4609570 0.87 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL4609623 0.87 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL13265103 0.86 ALDH1A1 (0.38) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6741782 0.86 ALDH1A1 (0.38) ALDH1A1GLATP53CYP3A4TSHR

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 7 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-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
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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 (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 ALDH1A1 2584/4885GLA 3204/4885TP53 3433/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885TP53 2995/4885

“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.