SCHEMBL6877381

SCHEMBL6877381

COc1ccc2c(O)cc(OC3CC3)nc2c1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
PDE4D Q08499 5/20 0.36
GPR35 Q9HC97 1/20 0.36
LDHA P00338 1/20 0.34
ACVR2A P27037 1/20 0.34
TGFBR2 P37173 1/20 0.34
PDE4B Q07343 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM2B Q8NHM5 2/20 0.32
AR P10275 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL6877498 0.95 PDGFRB (0.40) PDGFRBPDGFRAPDE4DGPR35ACVR2A
SCHEMBL1952047 0.81 USP2 (0.39) PDE4DGPR35PDE4BGAAESR1
SCHEMBL6875131 0.78 MAPT (0.40) PDE4DGPR35PDE4BGAAESR1
SCHEMBL6879064 0.77 CSF1R (0.41) PDGFRBPDGFRAPDE4DPDE4BGAA
SCHEMBL13763614 0.76 LDHA (0.35) PDGFRBPDGFRAPDE4DGPR35LDHA
SCHEMBL6877847 0.74 ALDH1A1 (0.36) PDE4B
SCHEMBL2624139 0.72 GPR35 (0.36) GPR35MGAMGAASIMGAM2
SCHEMBL3370734 0.72 ESR1 (0.40) PDE4DPDE4BESR1
SCHEMBL3627208 0.70 TDO2 (0.51)
SCHEMBL561626 0.70 GPR35 (0.47) PDE4DGPR35ESR1ESR2

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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2011063502-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-03 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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 PDGFRB 961/4885PDGFRA 1546/4885PDE4D 4124/4885

“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.