SCHEMBL661712

SCHEMBL661712

CCCCc1nc(C)nc(OCc2ccccc2)c1Cc1cc(CCC)c(O)c(CCC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
DHFR P00374 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALOX5 P09917 2/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
PTGES O14684 1/20 0.33
APLNR P35414 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL666400 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL661496 0.83 DHFR (0.37) DHFR
SCHEMBL660772 0.83 PPARG (0.48)
SCHEMBL660726 0.77 L3MBTL1 (0.46) L3MBTL1
SCHEMBL661889 0.76 ALKBH1 (0.37) DHFRL3MBTL1APLNR
SCHEMBL662608 0.73 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL661137 0.73 PPARG (0.48)
SCHEMBL661904 0.69 DPP4 (0.39) DHFR
SCHEMBL4660091 0.69 PTPN1 (0.49) ALOX5
SCHEMBL661373 0.69 DHFR (0.33) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 US 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD PDE4A 2285/4885PDE4B 2738/4885PDE4C 3665/4885

“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.