SCHEMBL25819222

SCHEMBL25819222

CNCCOc1cccc(OCC2CCCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
GPR84 Q9NQS5 1/20 0.42
NSD2 O96028 1/20 0.41
HPGD P15428 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL25822130 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL4568908 0.87 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL25826749 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL2210842 0.84 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL29818755 0.84 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL19291799 0.82 HTR1B (0.51) SMN1; SMN2ALDH1A1HTR1BHTR1DKDM4E
SCHEMBL25825926 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12819942 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12819830 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL12819385 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR

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 39/4885ALDH1A1 133/4885TP53 4120/4885

“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.