SCHEMBL25816256

SCHEMBL25816256

CCCC(O)(CC)COc1cccc(C[C@H](O)CN)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
GGPS1 O95749 2/20 0.36
HIF1A Q16665 1/20 0.35
CETP P11597 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
VDR P11473 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15150972 0.96 TAAR1 (0.38) TAAR1GGPS1HIF1ACETPTP53
SCHEMBL15151000 0.96 TAAR1 (0.38) TAAR1GGPS1HIF1ACETPTP53
SCHEMBL15150988 0.96 TAAR1 (0.38) TAAR1GGPS1HIF1ACETPTP53
SCHEMBL15150987 0.94 TAAR1 (0.39) TAAR1GGPS1HIF1ATP53CYP3A4
SCHEMBL15150976 0.94 TAAR1 (0.39) TAAR1GGPS1HIF1ATP53CYP3A4
SCHEMBL15151060 0.94 TAAR1 (0.39) TAAR1GGPS1HIF1ATP53CYP3A4
SCHEMBL13881565 0.86 TAAR1 (0.38) TAAR1GGPS1HIF1ATP53CYP3A4
SCHEMBL4569003 0.86 GGPS1 (0.38) TAAR1GGPS1HIF1ACETPPPARG
SCHEMBL4568992 0.86 GGPS1 (0.38) TAAR1GGPS1HIF1ACETPPPARG
SCHEMBL4568989 0.86 GGPS1 (0.38) TAAR1GGPS1HIF1ACETPPPARG

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1463/4885GGPS1 1289/4885HIF1A 1180/4885

“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.