SCHEMBL8901248

SCHEMBL8901248

CNCCOc1cccc(OCCCC(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NSD2 O96028 1/20 0.60
HTR1B P28222 2/20 0.53
HTR1D P28221 1/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHEK1 O14757 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRNB2 P17787 1/20 0.45

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
SCHEMBL25822288 0.88 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2NSD2HTR1B
SCHEMBL25820387 0.87 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2NSD2HTR1B
SCHEMBL25822303 0.86 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NSD2MTNR1A
SCHEMBL4572134 0.85 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2NSD2MTNR1A
SCHEMBL25820408 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2NSD2HTR1B
SCHEMBL3968441 0.84 MTNR1A (0.54) KDM4EALDH1A1SMN1; SMN2NSD2MTNR1A
SCHEMBL4569111 0.83 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2NSD2MTNR1A
SCHEMBL4568923 0.83 KMT2A (0.59) ALDH1A1SMN1; SMN2KMT2AMAPK1L3MBTL1
SCHEMBL13881805 0.82 MTNR1A (0.49) KDM4EALDH1A1SMN1; SMN2NSD2MTNR1A
SCHEMBL30344364 0.82 PARP1 (0.57) KDM4EALDH1A1SMN1; SMN2NSD2HTR1B

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-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 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-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KDM4E 2349/4885ALDH1A1 140/4885SMN1; SMN2 42/4885

“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.