SCHEMBL6742839

SCHEMBL6742839

CC[C@@H](OC[C@H]1CO1)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 3/20 0.35
TSHR P16473 3/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 1/20 0.32
MGLL Q99685 2/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL14824561 1.00 ALDH1A1 (0.40) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6742283 0.89 ALDH1A1 (0.38) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6743199 0.86 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL27652935 0.85 ALDH1A1 (0.49) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6742861 0.83 ALDH1A1 (0.35) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6741809 0.83 ALDH1A1 (0.35) ALDH1A1GLATDP1TP53TSHR
SCHEMBL10165904 0.83 ALDH1A1 (0.35) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6743150 0.82 ALDH1A1 (0.38) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4610163 0.82 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53TSHR
SCHEMBL28475513 0.82 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53TSHR

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 10 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-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-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
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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 3204/4885TDP1 3917/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885TDP1 4784/4885

“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.