SCHEMBL25822145

SCHEMBL25822145

NNCCOc1cccc(OCC2(O)CCCCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
F10 P00742 2/20 0.36
PRSS1 P07477 6/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
NSD2 O96028 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25822053 0.86 HTR1B (0.47) MTNR1AMTNR1BKDM4EALDH1A1TDP1
SCHEMBL25819234 0.86 HTR1B (0.47) MTNR1AMTNR1BKDM4EALDH1A1TDP1
SCHEMBL25819175 0.86 HTR1B (0.47) MTNR1AMTNR1BKDM4EALDH1A1TDP1
SCHEMBL29818722 0.85 TAAR1 (0.43) PRSS1GRIN1GRIN2AGRIN2B
SCHEMBL2207575 0.85 TAAR1 (0.43) PRSS1GRIN1GRIN2AGRIN2B
SCHEMBL2202557 0.85 TAAR1 (0.43) PRSS1GRIN1GRIN2AGRIN2B
SCHEMBL2208263 0.85 TAAR1 (0.43) PRSS1GRIN1GRIN2AGRIN2B
SCHEMBL15151001 0.83 TAAR1 (0.44) PRSS1GRIN1GRIN2AGRIN2B
SCHEMBL4568909 0.82 KMT2A (0.47) KDM4EALDH1A1TDP1GRIN1GRIN2A
SCHEMBL4568776 0.82 KMT2A (0.47) KDM4EALDH1A1TDP1GRIN1GRIN2A

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 MTNR1A 93/4885MTNR1B 92/4885KDM4E 2227/4885

“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.