SCHEMBL6798328

SCHEMBL6798328

CCOc1ccc(/C=C/C=O)c([C@@H](C)OC[C@H]2CO2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
TSHR P16473 5/20 0.35
TP53 P04637 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HPGD P15428 6/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
PKM P14618 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32

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
SCHEMBL10151091 0.89 MAPT (0.34) ALDH1A1TSHRTP53SMN1; SMN2HIF1A
SCHEMBL10132915 0.84 TP53 (0.38) ALDH1A1TSHRTP53SMN1; SMN2HIF1A
SCHEMBL6742294 0.83 MGLL (0.41) ALDH1A1TSHRCYP3A4AKR1C3AKR1C2
SCHEMBL13263786 0.83 MGLL (0.41) ALDH1A1TSHRCYP3A4AKR1C3AKR1C2
SCHEMBL6742044 0.80 PPARG (0.35) ALDH1A1TSHRTP53SMN1; SMN2CYP3A4
SCHEMBL6742779 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTP53SMN1; SMN2HIF1A
SCHEMBL6794289 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTP53SMN1; SMN2HIF1A
SCHEMBL13263784 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTP53SMN1; SMN2HIF1A
SCHEMBL6798063 0.77 PKM (0.37) ALDH1A1TSHRTP53SMN1; SMN2HIF1A
SCHEMBL10165711 0.76 CDK4 (0.30) CDK4CCND1

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 ALDH1A1 2584/4885TSHR 314/4885TP53 3433/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885TSHR 603/4885TP53 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.