SCHEMBL6792269

SCHEMBL6792269

CCOc1cccc([C@@H](C)OCC2CO2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GLA P06280 1/20 0.42
HRH3 Q9Y5N1 3/20 0.40
TP53 P04637 3/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
ADRB2 P07550 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33

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
SCHEMBL6742561 1.00 ALDH1A1 (0.42) ALDH1A1GLAHRH3TP53TSHR
SCHEMBL17226995 0.88 ALDH1A1 (0.40) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL6741923 0.88 ALDH1A1 (0.40) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL6742603 0.87 ALDH1A1 (0.39) ALDH1A1GLAHRH3TP53TSHR
SCHEMBL12203788 0.87 ALDH1A1 (0.39) ALDH1A1GLAHRH3TP53TSHR
SCHEMBL13265103 0.85 ALDH1A1 (0.38) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL6741782 0.85 ALDH1A1 (0.38) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL14813298 0.83 ALDH1A1 (0.43) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL2478799 0.83 ALDH1A1 (0.43) ALDH1A1GLATP53TSHRSMN1; SMN2
SCHEMBL10164617 0.83 ALDH1A1 (0.43) ALDH1A1GLATP53TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 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 (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-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885HRH3 1057/4885

“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.