SCHEMBL25815700

SCHEMBL25815700

CCOCCCCCOc1cccc(CCCN)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TSHR P16473 1/20 0.47
CYP2D6 P10635 4/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GGPS1 O95749 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2206741 0.87 TSHR (0.58) CNR1CNR2TSHRCYP2D6PPARG
SCHEMBL19291600 0.85 CYP2D6 (0.55) CNR1CNR2TSHRCYP2D6TAAR1
SCHEMBL4569094 0.85 TAAR1 (0.51) CNR1CNR2TSHRCYP2D6TAAR1
SCHEMBL14640150 0.85 TAAR1 (0.54) CYP2D6TAAR1PPARGPPARA
SCHEMBL2208231 0.84 TDP1 (0.51) KCNH2L3MBTL1
SCHEMBL8903123 0.84 CYP2D6 (0.50) CNR1CNR2TSHRCYP2D6TAAR1
SCHEMBL29929316 0.84 TAAR1 (0.58) TSHRTAAR1KDM4E
SCHEMBL21657447 0.84 TAAR1 (0.58) TSHRTAAR1KDM4E
SCHEMBL2206320 0.84 TAAR1 (0.54) CYP2D6TAAR1KDM4EMAPK1GGPS1
SCHEMBL20332570 0.83 KCNA3 (0.53) TAAR1KCNH2

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 CNR1 2205/4885CNR2 2231/4885TSHR 2971/4885

“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.