SCHEMBL25822195

SCHEMBL25822195

CC(C)CCOc1cccc(OCCNN)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.49
HSP90AA1 P07900 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
NR1H4 Q96RI1 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NSD2 O96028 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PDK2 Q15119 1/20 0.42
EPHX2 P34913 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 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
1,3-Diisopentoxybenzene SCHEMBL2846359 0.86 TDP1 (0.57) GALR3HSP90AA1TDP1NR1H4KDM4E
SCHEMBL13881797 0.85 HTR1B (0.58) GALR3HSP90AA1TDP1NR1H4KDM4E
SCHEMBL25818187 0.82 AOC3 (0.50) GALR3HSP90AA1TDP1NR1H4KDM4E
SCHEMBL29819005 0.81 TDP1 (0.53) GALR3HSP90AA1TDP1NR1H4MAPK1
SCHEMBL2208810 0.81 TDP1 (0.53) GALR3HSP90AA1TDP1NR1H4MAPK1
SCHEMBL25822263 0.81 CYP1A2 (0.51) NR1H4KDM4ENSD2ALDH1A1SMN1; SMN2
SCHEMBL25822276 0.80 MAPK1 (0.58) KDM4EALDH1A1MAPK1CYP1A2CYP2D6
3-Propoxy-1-Isopentoxybenzene SCHEMBL2839921 0.80 KMT2A (0.51) GALR3HSP90AA1TDP1NR1H4KDM4E
1-Isopentyloxy-3-Ethoxybenzene SCHEMBL2840066 0.80 MAPK1 (0.53) GALR3HSP90AA1TDP1NR1H4KDM4E
1-Isopentyloxy-3-Methoxybenzene SCHEMBL791293 0.80 NPSR1 (0.58) GALR3HSP90AA1TDP1KDM4EALDH1A1

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 GALR3 101/4885HSP90AA1 2896/4885TDP1 529/4885

“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.