SCHEMBL25826749

SCHEMBL25826749

CNCCCc1cccc(OCC2CCCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
ACACB O00763 1/20 0.40
MAPT P10636 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
SCHEMBL4568843 0.87 CNR1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL19291677 0.85 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL2205503 0.85 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL25819222 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL25819677 0.83 CHRM2 (0.48) CHRM2CHRM1CHRM3ACACB
SCHEMBL25819673 0.82 CHRM2 (0.47) CHRM2CHRM1CHRM3ACACB
SCHEMBL2204692 0.82 CHRM2 (0.47) CHRM2CHRM1CHRM3ACACB
SCHEMBL19291800 0.82 CHRM2 (0.47) CHRM2CHRM1CHRM3ACACB
SCHEMBL25819791 0.79 CHRM2 (0.46) CHRM2CHRM1CHRM3ACACB
SCHEMBL25825926 0.77 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1TP53

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 SMN1; SMN2 39/4885NPC1 47/4885RAB9A 2078/4885

“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.