SCHEMBL10132886

SCHEMBL10132886

CCOC(=O)CC/C=C/c1cc(C)ccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MGLL Q99685 3/20 0.32
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL6742792 1.00 PDE5A (0.35) PDE5AKDM4ELMNANR1I2PGR
SCHEMBL10132898 0.94 PDE5A (0.36) PDE5AKDM4ELMNANR1I2PGR
SCHEMBL6742361 0.94 PDE5A (0.36) PDE5AKDM4ELMNANR1I2PGR
SCHEMBL6742795 0.91 NR1I2 (0.34) LMNANR1I2PGRADORA3PTGS2
SCHEMBL6798312 0.91 MEN1 (0.35) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6742440 0.91 MEN1 (0.35) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10132890 0.91 NR1I2 (0.34) LMNANR1I2PGRADORA3PTGS2
SCHEMBL13265318 0.89 KDM4E (0.38) KDM4EMGLLALDH1A1
SCHEMBL2473198 0.89 KDM4E (0.38) KDM4EMGLLALDH1A1
SCHEMBL6742348 0.88 NR1I2 (0.33) NR1I2PGRADORA3PTGS2PDE4D

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
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
WO-2010074088-A1 CYCLIC AMINE 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 PDE5A 807/4885KDM4E 3243/4885LMNA 2492/4885

“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.