SCHEMBL6794677

SCHEMBL6794677

CCOc1cccc([C@@H](C)OCC2CO2)c1/C=C/CCC=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PABPC1 P11940 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
SCHEMBL10151319 0.91 PDE9A (0.34) ALDH1A1GLAHTR1AADRA1AKDM4E
SCHEMBL10132919 0.90 ALDH1A1 (0.36) ALDH1A1GLAHRH3ADRB2HTR1A
SCHEMBL6795766 0.90 ALDH1A1 (0.32) ALDH1A1GLAMAPT
SCHEMBL10165901 0.87 ALDH1A1 (0.35) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL13265148 0.85 ALDH1A1 (0.34) ALDH1A1GLAHRH3KDM4E
SCHEMBL6743549 0.85 ALDH1A1 (0.34) ALDH1A1GLAHRH3KDM4E
SCHEMBL10165602 0.85
SCHEMBL10132921 0.81 ALDH1A1 (0.33) ALDH1A1GLA
SCHEMBL6741959 0.80 MGLL (0.41) ALDH1A1GLAHRH3CYP3A4KDM4E
SCHEMBL13264010 0.80 MGLL (0.41) ALDH1A1GLAHRH3CYP3A4KDM4E

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 2 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

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.