SCHEMBL6742361

SCHEMBL6742361

CCOC(=O)CC/C=C/c1ccc(C)cc1[C@@H](C)OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.36
KDM4E B2RXH2 3/20 0.33
MGLL Q99685 2/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE4D Q08499 1/20 0.32
NLRP3 Q96P20 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10132898 1.00 PDE5A (0.36) PDE5AKDM4EMGLLGLAMAPT
SCHEMBL10132886 0.94 PDE5A (0.35) PDE5AKDM4EMGLLGLAMAPT
SCHEMBL6742792 0.94 PDE5A (0.35) PDE5AKDM4EMGLLGLAMAPT
SCHEMBL6742044 0.90 PPARG (0.35) KDM4EMAPTHPGDLMNAALDH1A1
SCHEMBL6742800 0.90 NR1I2 (0.33) MGLLMAPTNR1I2PGRADORA3
SCHEMBL10132894 0.90 NR1I2 (0.33) MGLLMAPTNR1I2PGRADORA3
SCHEMBL13263802 0.90 MAPT (0.33) MGLLMAPT
SCHEMBL6742282 0.90 MAPT (0.33) MGLLMAPT
SCHEMBL13265318 0.89 KDM4E (0.38) KDM4EMGLLALDH1A1
SCHEMBL2473198 0.89 KDM4E (0.38) KDM4EMGLLALDH1A1

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 7 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-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
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 (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 PDE5A 807/4885KDM4E 3243/4885MGLL 2051/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PDE5A 2002/4885KDM4E 4236/4885MGLL 2501/4885

“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.