SCHEMBL25819092

SCHEMBL25819092

CNCCCc1cccc(OCC(O)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
KDM4E B2RXH2 3/20 0.45
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ACHE P22303 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 3/20 0.41
BCHE P06276 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL4568894 0.85 PPARA (0.52) CYP2D6PPARGPPARA
SCHEMBL2204738 0.84 TAAR1 (0.45) ACHECYP2D6PPARGPPARA
SCHEMBL29818667 0.84 TAAR1 (0.45) ACHECYP2D6PPARGPPARA
SCHEMBL13881804 0.81 CHRM2 (0.50) CHRM2CHRM1CHRM3KDM4ENSD2
SCHEMBL13881720 0.79 CHRM2 (0.48) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL14855263 0.79 CHRM2 (0.57) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL19291639 0.78 KDM4E (0.50) CHRM2CHRM1CHRM3KDM4ENSD2
SCHEMBL20295214 0.78 TSHR (0.40) KDM4EMTNR1AMTNR1BMEN1KMT2A
SCHEMBL13881688 0.78 CHRM2 (0.53) CHRM2CHRM1CHRM3KDM4ENSD2
SCHEMBL13881783 0.77 CHRM2 (0.51) CHRM2CHRM1CHRM3KDM4ENSD2

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 CHRM2 2420/4885CHRM1 3108/4885CHRM3 1218/4885

“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.