SCHEMBL3563776

SCHEMBL3563776

COc1ccc(C(=O)O)c(OC2CCN(OC(C)(C)C)C(=C=O)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.43
GPR6 P46095 2/20 0.35
GRIA2 P42262 1/20 0.35
KDM2B Q8NHM5 3/20 0.35
PDE4B Q07343 3/20 0.34
STS P08842 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 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
SCHEMBL3554378 0.91 MEN1 (0.37) GRIK1GPR6KDM2BPDE4BSTS
SCHEMBL3557510 0.87 GPR6 (0.35) GRIK1GPR6GRIA2PDE4B
SCHEMBL3901739 0.87 GPR6 (0.36) GRIK1GPR6GRIA2PDE4BALDH1A1
SCHEMBL8094956 0.82 LIPG (0.38)
SCHEMBL3912796 0.80 GPR6 (0.38) GPR6PDE4BRAB9AALDH1A1KDM4E
SCHEMBL7356525 0.80 HIF1A (0.34) GPR6KDM2BPDE4BRAB9AALDH1A1
SCHEMBL3165435 0.77 PDE4B (0.54) GRIK1PDE4BSTSALDH1A1KDM4E
SCHEMBL9013863 0.75 GPR119 (0.38)
SCHEMBL7342824 0.74 OXTR (0.40) HTR2A
SCHEMBL7445935 0.73 KDM2B (0.39) KDM2BRAB9AALDH1A1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 GRIK1 4396/4885GPR6 3298/4885GRIA2 4813/4885

“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.