SCHEMBL2090601

SCHEMBL2090601

COC(=O)c1ccc(OCC2CC2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.60
PDE4A P27815 5/20 0.60
PDE4C Q08493 5/20 0.60
PDE4D Q08499 5/20 0.60
MAPT P10636 2/20 0.57
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.49

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
SCHEMBL23047404 0.94 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4278555 0.94 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL28033753 0.94 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL30017688 0.90 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL21473561 0.90 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL28033773 0.89 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL20463312 0.87 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL29670247 0.87 TSHR (0.66) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL15596058 0.87 TSHR (0.66) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL24815310 0.86 MAPT (0.55) PDE4BPDE4APDE4CPDE4DMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 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 (3 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 PDE4B 353/4885PDE4A 287/4885PDE4C 324/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 PDE4B 437/4885PDE4A 388/4885PDE4C 431/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 PDE4B 326/4885PDE4A 382/4885PDE4C 420/4885

“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.