SCHEMBL3554378

SCHEMBL3554378

COC(=O)c1ccc(OC)cc1OC1CCN(OC(C)(C)C)C(=C=O)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GPR6 P46095 2/20 0.36
STS P08842 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
GRIK1 P39086 1/20 0.35
KDM2B Q8NHM5 3/20 0.34
RAB9A P51151 2/20 0.34
PDE4B Q07343 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34

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
SCHEMBL3563776 0.91 GRIK1 (0.43) MEN1KMT2AGPR6STSHSD17B10
SCHEMBL3912796 0.89 GPR6 (0.38) GPR6KDM4EALDH1A1HPGDRAB9A
SCHEMBL7356525 0.79 HIF1A (0.34) GPR6ALDH1A1KDM2BRAB9APDE4B
SCHEMBL3557510 0.79 GPR6 (0.35) GPR6GRIK1PDE4B
SCHEMBL3901739 0.78 GPR6 (0.36) GPR6HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3903288 0.78 GPR6 (0.41) GPR6KDM4EALDH1A1HPGD
SCHEMBL3151620 0.78 STS (0.55) MEN1KMT2ASTSALDH1A1PDE4B
SCHEMBL3905636 0.76 GPR6 (0.41) GPR6KDM4EALDH1A1HPGDRAB9A
SCHEMBL8094956 0.76 LIPG (0.38)
SCHEMBL3904985 0.75 MAPT (0.42) MEN1KMT2AHSD17B10KDM4EGLA

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 MEN1 1540/4885KMT2A 2775/4885GPR6 3298/4885

“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.