SCHEMBL29818924

SCHEMBL29818924

CCCC(O)COc1cccc(CCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
HIF1A Q16665 1/20 0.46
PTGIR P43119 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
S1PR1 P21453 1/20 0.42
CYP2D6 P10635 3/20 0.41
HTR2A P28223 2/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2205141 1.00 PPARA (0.46) PPARAPPARGHIF1APTGIRTAAR1
SCHEMBL19291759 1.00 PPARA (0.46) PPARAPPARGHIF1APTGIRTAAR1
SCHEMBL13881547 0.94 PPARA (0.48) PPARAPPARGHIF1APTGIRTAAR1
SCHEMBL13881578 0.91 PPARA (0.52) PPARAPPARGHIF1APTGIRS1PR1
SCHEMBL4568902 0.91 PPARA (0.52) PPARAPPARGHIF1APTGIRTSHR
SCHEMBL17031425 0.87 PPARA (0.44) PPARAPPARGHIF1APTGIRTAAR1
SCHEMBL23116532 0.87 MEN1 (0.48) CYP2D6HTR2A
SCHEMBL2208855 0.86 TAAR1 (0.45) PPARAPPARGPTGIRTAAR1CYP2D6
SCHEMBL19291801 0.85 TAAR1 (0.44) PPARAPPARGPTGIRTAAR1CYP2D6
SCHEMBL20332390 0.84 TAAR1 (0.43) PPARAPPARGPTGIRTAAR1CYP2D6

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-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-11446261-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2022-09-20 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 (2 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-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885
US-11446261-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER PPARA 586/4885PPARG 136/4885HIF1A 1254/4885

“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.