SCHEMBL26564665

SCHEMBL26564665

CN(C)CCCSC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HRH4 Q9H3N8 2/20 0.48
CYP1A2 P05177 1/20 0.48
HRH2 P25021 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.32
PAOX Q6QHF9 1/20 0.32
KDM4A O75164 8/20 0.31
KDM4C Q9H3R0 8/20 0.31
KDM5A P29375 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16316409 0.87 HTR1A (0.44) ALDH1A1HRH4CYP1A2HRH2TDP1
SCHEMBL26564664 0.80 CHRM1 (0.44) ALDH1A1LMNAPAOXKDM4E
SCHEMBL3866692 0.76 NOS3 (0.43) ALDH1A1TDP1HSD17B10
SCHEMBL10582700 0.76 ALDH1A1 (0.54) ALDH1A1HRH4CYP1A2HRH2TDP1
SCHEMBL15833401 0.76 KDM4E (0.35) TDP1KDM4E
SCHEMBL3864583 0.74 CES2 (0.42) ALDH1A1HSD17B10TSHR
SCHEMBL12198870 0.74 SMN1; SMN2 (0.39) TDP1KDM4E
SCHEMBL10666011 0.74 ALDH1A1 (0.63) ALDH1A1HRH4CYP1A2HRH2TDP1
SCHEMBL6623372 0.74
SCHEMBL16940261 0.73

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 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-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS LIPA, SGMS1, SGMS2 ALDH1A1 331/4885HRH4 4785/4885CYP1A2 2621/4885

“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.