SCHEMBL25819175

SCHEMBL25819175

CNCCOc1cccc(OCC2(O)CCCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.47
HTR1D P28221 2/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.46
NSD2 O96028 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDK2 Q15119 2/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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 1.00 HTR1B (0.47) HTR1BHTR1DKDM4EALDH1A1NSD2
SCHEMBL25819234 1.00 HTR1B (0.47) HTR1BHTR1DKDM4EALDH1A1NSD2
SCHEMBL25822145 0.86 MTNR1A (0.38) KDM4EALDH1A1NSD2SMN1; SMN2MTNR1A
SCHEMBL4568779 0.85 KMT2A (0.47) KDM4EALDH1A1PDK2TDP1GRIN1
SCHEMBL4568776 0.85 KMT2A (0.47) KDM4EALDH1A1PDK2TDP1GRIN1
SCHEMBL4568909 0.85 KMT2A (0.47) KDM4EALDH1A1PDK2TDP1GRIN1
SCHEMBL4568991 0.83 KMT2A (0.48) KDM4EALDH1A1SMN1; SMN2PDK2TDP1
SCHEMBL25819695 0.82 CHRM2 (0.45) KDM4EALDH1A1NSD2SMN1; SMN2MTNR1A
SCHEMBL25823995 0.82 CHRM2 (0.45) KDM4EALDH1A1NSD2SMN1; SMN2MTNR1A
SCHEMBL29818722 0.82 TAAR1 (0.43) PDK2GRIN1GRIN2AGRIN2B

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 HTR1B 960/4885HTR1D 1401/4885KDM4E 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.