SCHEMBL658699

SCHEMBL658699

COc1ccc(C(O)C2CCC3(CC2)OCCO3)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 8/20 0.40
EPAS1 Q99814 5/20 0.39
SOAT1 P35610 3/20 0.39
SOAT2 O75908 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FPR2 P25090 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL10102162 0.87 SYK (0.34) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL661555 0.78 PDE4B (0.45) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL661285 0.77 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CHIF1A
SCHEMBL14042199 0.75 HIF1A (0.46) PDE4DPDE4APDE4BPDE4CHIF1A
SCHEMBL661734 0.71 CYP1A2 (0.51) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8990452 0.70 TSHR (0.43) ALDH1A1HTTCYP1A2KMT2ANPSR1
SCHEMBL662935 0.70 CYP3A4 (0.49) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL22047879 0.70 NR3C1 (0.47) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL10107050 0.68 ESR2 (0.44) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL661554 0.68 KMT2A (0.41) PDE4DPDE4APDE4BPDE4CALDH1A1

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 5 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-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
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 1364/4885PDE4A 561/4885PDE4B 823/4885

“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.