SCHEMBL8002002

SCHEMBL8002002

OCc1ccc(OC2CCOC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 7/20 0.47
SLC5A1 P13866 4/20 0.47
ACACB O00763 5/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
FLT3 P36888 1/20 0.38
CDK8 P49336 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ACVR1 Q04771 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL26086943 0.90 ACACB (0.48) SLC5A2SLC5A1ACACBALDH1A1TSHR
SCHEMBL22657449 0.87 SLC5A2 (0.45) SLC5A2SLC5A1ACACBALDH1A1TSHR
SCHEMBL13185109 0.83 ACACB (0.43) SLC5A2SLC5A1ACACBHRH3
SCHEMBL22657602 0.83 SLC5A2 (0.42) SLC5A2SLC5A1ACACBLIPGHRH3
SCHEMBL31143116 0.83 SLC5A2 (0.44) SLC5A2SLC5A1ACACBLIPGHRH3
SCHEMBL10596950 0.83 SLC5A2 (0.42) SLC5A2SLC5A1ACACBLIPGHRH3
SCHEMBL1812294 0.81 ACACB (0.45) SLC5A2SLC5A1ACACBLIPGEPHX2
SCHEMBL1812295 0.81 ACACB (0.45) SLC5A2SLC5A1ACACBLIPGEPHX2
SCHEMBL337476 0.81 ACACB (0.42) SLC5A2SLC5A1ACACBLIPGHRH3
SCHEMBL21051334 0.81 ACACB (0.42) SLC5A2SLC5A1ACACBLIPGHRH3

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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 SLC5A2 129/4885SLC5A1 253/4885ACACB 90/4885

“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.