SCHEMBL661285

SCHEMBL661285

CCC1CCC(C(O)c2ccc(OC)c(OC(C)C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4A P27815 3/20 0.46
PDE4C Q08493 2/20 0.46
HIF1A Q16665 5/20 0.42
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPAS1 Q99814 3/20 0.39
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 2/20 0.36

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
SCHEMBL660373 0.81 HIF1A (0.34) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL661555 0.81 PDE4B (0.45) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL662935 0.79 CYP3A4 (0.49) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL14042199 0.78 HIF1A (0.46) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL658699 0.77 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL10107050 0.76 ESR2 (0.44) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL659171 0.75 KDM1A (0.34) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL661734 0.74 CYP1A2 (0.51) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL10106834 0.71 HIF1A (0.35) PDE4DPDE4BPDE4APDE4CHIF1A
SCHEMBL661554 0.71 KMT2A (0.41) PDE4DPDE4BPDE4APDE4CHIF1A

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-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 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 (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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 PDE4D 1364/4885PDE4B 823/4885PDE4A 561/4885

“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.