SCHEMBL3901739

SCHEMBL3901739

CC(C)(C)ON1CCC(Oc2cc(C(C)(C)C)ccc2C(=O)O)CC1=C=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LIPG Q9Y5X9 4/20 0.31
PDE4B Q07343 3/20 0.31
LIPC P11150 2/20 0.31
GRIK1 P39086 2/20 0.31
GRIA2 P42262 1/20 0.31
PDE4A P27815 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
NR1H4 Q96RI1 1/20 0.30

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 0.87 GRIK1 (0.43) GPR6ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3557510 0.86 GPR6 (0.35) GPR6PDE4BGRIK1GRIA2
SCHEMBL3905636 0.80 GPR6 (0.41) GPR6ALDH1A1KDM4EHPGDPDE4B
SCHEMBL8094956 0.79 LIPG (0.38) LIPGLIPC
SCHEMBL3554378 0.78 MEN1 (0.37) GPR6ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3912796 0.77 GPR6 (0.38) GPR6ALDH1A1KDM4EHPGDPDE4B
SCHEMBL3151575 0.77 PDE4B (0.50) KDM4EPDE4BPDE4APDE4CPDE4D
SCHEMBL9013863 0.72 GPR119 (0.38)
SCHEMBL7356525 0.71 HIF1A (0.34) GPR6ALDH1A1PDE4BPDE4APDE4C
SCHEMBL7342824 0.69 OXTR (0.40)

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-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI GPR6 2624/4885ALDH1A1 458/4885TDP1 700/4885

“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.