SCHEMBL3552492

SCHEMBL3552492

COc1cc(C2=NOC3(CCOC3)C2)ccc1OCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
DHODH Q02127 1/20 0.38
FPR2 P25090 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PDE4B Q07343 6/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL3546345 0.96 FPR2 (0.39) XDHDHODHFPR2GPR55PDE4B
SCHEMBL3672746 0.91 SSTR5 (0.39) DHODHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL3679361 0.91 SSTR5 (0.32) XDHDHODHALDH1A1GAASSTR5
SCHEMBL3678032 0.91 SSTR5 (0.39) DHODHMEN1KMT2ASMN1; SMN2HTT
SCHEMBL3677746 0.89 ALDH1A1 (0.33) XDHDHODHFPR2PDE4BPDE4A
SCHEMBL3674998 0.89 ALDH1A1 (0.33) XDHDHODHFPR2PDE4BPDE4A
SCHEMBL3672073 0.89 SSTR5 (0.32) DHODHFPR2ALDH1A1GAASSTR5
SCHEMBL3551039 0.88 SMN1; SMN2 (0.42) FPR2PDE4BPDE4APDE4CPDE4D
SCHEMBL3669519 0.88 ALDH1A1 (0.32) XDHDHODHPDE4BPDE4APDE4C
SCHEMBL3677475 0.88 ALDH1A1 (0.32) XDHDHODHPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825147-B2 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-11-02 US disclosed
EP-1663999-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES, LTD. (IN) 2006-06-07 EP disclosed
US-20050075383-A1 Inhibitors of phophodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 US disclosed
WO-2005021515-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 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-20050075383-A1 Inhibitors of phophodiesterase type-IV PDE7A, PDE4A, PDE4B XDH 291/4885DHODH 909/4885FPR2 2652/4885

“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.