SCHEMBL6796223

SCHEMBL6796223

COc1ccc(Br)c([C@@H](C)OC[C@H]2CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
PTPN1 P18031 1/20 0.38
HPGD P15428 3/20 0.37
TP53 P04637 4/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
POLB P06746 2/20 0.35
CYP2D6 P10635 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL17226933 1.00 PKM (0.40) PKMPTPN1HPGDTP53TSHR
SCHEMBL6796536 0.90 PKM (0.41) PKMPTPN1HPGDTP53TSHR
SCHEMBL17226978 0.90 PKM (0.41) PKMPTPN1HPGDTP53TSHR
SCHEMBL6794289 0.88 ALDH1A1 (0.41) PKMHPGDTP53TSHRALDH1A1
SCHEMBL6742779 0.88 ALDH1A1 (0.41) PKMHPGDTP53TSHRALDH1A1
SCHEMBL6741984 0.88 ALDH1A1 (0.35) PKMHPGDTP53TSHRALDH1A1
SCHEMBL6741517 0.83 ALDH1A1 (0.36) HPGDTP53TSHRALDH1A1HIF1A
SCHEMBL2475657 0.83 ALDH1A1 (0.36) HPGDTP53TSHRALDH1A1HIF1A
SCHEMBL6741658 0.82 ALDH1A1 (0.33) HPGDTP53TSHRALDH1A1HIF1A
SCHEMBL17226941 0.82 ALDH1A1 (0.33) HPGDTP53TSHRALDH1A1HIF1A

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 5 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-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074089-A1 INDANYL 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 (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 PKM 3505/4885PTPN1 3507/4885HPGD 1037/4885

“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.