SCHEMBL26501022

SCHEMBL26501022

CC(C)CCOCCOCCN1CCN(CC(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SLC2A1 P11166 1/20 0.33
HTR7 P34969 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21106253 0.87 HRH2 (0.39) PIK3CDHRH2HRH1KDM4EALDH1A1
SCHEMBL22963141 0.87 KDM4E (0.37) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL20850751 0.87 KDM4E (0.37) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL26204334 0.86 HRH2 (0.38) PIK3CDHRH2HRH1KDM4EALDH1A1
SCHEMBL23100560 0.85 KDM4E (0.36) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL24060966 0.85 ALDH1A1 (0.45) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL25075206 0.84 MAOB (0.38) HRH2HRH1KDM4EALDH1A1HTT
SCHEMBL23205212 0.83 HTT (0.35) HRH2HRH1KDM4EALDH1A1HTT
SCHEMBL26974931 0.83 KDM4E (0.34) KDM4EALDH1A1HTTHTR7HTR1A
SCHEMBL26939510 0.82 HTT (0.43) KDM4EALDH1A1HTT

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS PIK3CD 577/4885HRH2 3216/4885HRH1 2655/4885

“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.