SCHEMBL660896

SCHEMBL660896

CCOC(=O)CCCCCOc1ccc2c(c1)C(C)(C)C(C)=N2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.52
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
BRD4 O60885 1/20 0.47
FFAR1 O14842 1/20 0.47
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
P2RY12 Q9H244 2/20 0.45
ALDH2 P05091 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LTA4H P09960 4/20 0.43
PLA2G2A P14555 1/20 0.41

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
SCHEMBL662124 0.87 PDK2 (0.47) PDK2PDE3BPDE3AFFAR1P2RY12
SCHEMBL10035883 0.84 CYSLTR2 (0.48) PDK2PDE3BPDE3ABRD4FFAR1
SCHEMBL25336502 0.83 PDE3B (0.45) PDK2PDE3BPDE3A
SCHEMBL10067075 0.82 PDE3B (0.35) PDK2PDE3BPDE3AMAOAMAOB
SCHEMBL11848693 0.81 CYP1A2 (0.40) PDK2PDE3BPDE3ACYSLTR2CYSLTR1
SCHEMBL12200669 0.80 PDK2 (0.35) PDK2PDE3BPDE3ABRD4
SCHEMBL12200646 0.79 PDK2 (0.33) PDK2PDE3BPDE3AP2RY12
SCHEMBL11291373 0.79 MAPT (0.41) PDK2
SCHEMBL31142498 0.77 PLA2G2A (0.39) PDE3BPDE3AP2RY12LTA4HPLA2G2A
SCHEMBL19116818 0.77 NCF1 (0.45) PDE3BPDE3AP2RY12

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
EP-1981846-B1 MARKERS, METHOD FOR MANUFACTURING THEM AND THEIR APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2017-11-01 EP disclosed
EP-1981846-B1 MARKERS, METHOD FOR MANUFACTURING THEM AND THEIR APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2017-11-01 EP disclosed
US-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES LABORATOIRES SYNTH-INNOVE (FR) 2012-02-23 US disclosed
US-8034626-B2 Labels, their production process and their uses LABORATOIRES SYNTH-INNOVE (FR) 2011-10-11 US disclosed
US-20080318336-A1 Labels, Their Production Process And Their Uses LABORATOIRES SYNTH-INNOVE (FR) 2008-12-25 US disclosed
EP-1981846-A2 MARKERS, METHOD FOR MANUFACTURING THEM AND THEIR APPLICATIONS Laboratoires Synth-Innove (FR) 2008-10-22 EP disclosed
WO-2007017602-A2 MARQUEURS, LEUR PROCEDE DE FABRICATION ET LEURS APPLICATIONS LABORATOIRES SYNTH-INNOVE (FR) 2007-02-15 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-20120045851-A1 LABELS, THEIR PRODUCTION PROCESS AND THEIR USES HLCS, PFAS, CYBA PDK2 2168/4885PDE3B 4636/4885PDE3A 4676/4885

“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.