SCHEMBL25825928

SCHEMBL25825928

CNCCOc1cccc(OCc2c(C)cccc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.47
HTR1D P28221 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NSD2 O96028 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL25820557 0.83 NOS3 (0.43) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL25825938 0.82 SLC22A12 (0.46) KMT2ASLC22A12
SCHEMBL25825968 0.79 HTT (0.41) ALDH1A1LMNADRD3SMN1; SMN2KMT2A
SCHEMBL4568939 0.75 SMN1; SMN2 (0.51) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7059928 0.75 KMT2A (0.67) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL25825085 0.74 HTR1B (0.66) HTR1BHTR1DKDM4EALDH1A1DRD2
SCHEMBL4568941 0.73 GPBAR1 (0.51) KDM4ELMNAKMT2ASLC22A12
SCHEMBL13589881 0.73 ALDH1A1 (0.63) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL21601469 0.73 KDM4E (0.58) HTR1BHTR1DKDM4EALDH1A1L3MBTL1
SCHEMBL25823626 0.73 CHRM2 (0.49) SMN1; SMN2KMT2AL3MBTL1

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.