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
SCHEMBL25822263 0.81 CYP1A2 (0.51) NR1H4KDM4ENSD2ALDH1A1SMN1; SMN2
SCHEMBL2208810 0.81 TDP1 (0.53) GALR3HSP90AA1TDP1NR1H4MAPK1
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.

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