SCHEMBL4188910

SCHEMBL4188910

CC(C)(C)OC(=O)CCC(O)c1cccc(C#CCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.34
HAO1 Q9UJM8 2/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ACACB O00763 1/20 0.33
APP P05067 1/20 0.33
EGFR P00533 1/20 0.33
RIPK1 Q13546 1/20 0.33
BACE1 P56817 1/20 0.33
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
PTGES O14684 1/20 0.32
CASR P41180 1/20 0.31

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
SCHEMBL235309 0.84 DDB1 (0.41) DDB1CRBNPTGES
SCHEMBL235418 0.77 ADORA3 (0.43) DDB1CRBN
SCHEMBL609762 0.76 ASIC3 (0.43) ASIC3EGFRBACE1
SCHEMBL234738 0.76 ASIC3 (0.43) ASIC3EGFRBACE1
SCHEMBL612705 0.76 FGFR3 (0.37) ASIC3FGFR3KDR
SCHEMBL236213 0.75 DDB1 (0.40) DDB1CRBNPTGES
SCHEMBL28022209 0.75 RIPK1 (0.57) RIPK1
SCHEMBL612632 0.75 DDB1 (0.43) DDB1CRBNPTGES
SCHEMBL233923 0.74 DDB1 (0.39) DDB1CRBNPTGES
SCHEMBL237646 0.73 ADORA3 (0.47) DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 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-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C ASIC3 1849/4885HAO1 3561/4885DDB1 1727/4885

“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.