SCHEMBL26501237

SCHEMBL26501237

CC(C)(C)OC1CCN(CCOCCOCCOCC(=O)C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCHE P06276 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
SCHEMBL26501238 1.00 HRH3 (0.35) HRH3CYP2D6CYP2C19KCNH2CACNA1I
SCHEMBL26504808 0.84 BCHE (0.36) HRH3CYP2D6CYP2C19KCNH2CACNA1I
SCHEMBL26501240 0.84 HRH3 (0.40) HRH3KCNH2KMT2AMEN1LMNA
SCHEMBL26501239 0.83 KMT2A (0.38) HRH3KMT2AMEN1BCHE
SCHEMBL26749008 0.78 HRH3 (0.39) HRH3CYP2D6CYP2C19KMT2AKDM4E
SCHEMBL26501220 0.78 PAOX (0.40) HRH3KCNH2KMT2AMEN1MAPT
SCHEMBL26501223 0.78 PAOX (0.40) HRH3KCNH2KMT2AMEN1MAPT
SCHEMBL26501219 0.78 PAOX (0.40) HRH3KCNH2KMT2AMEN1MAPT
SCHEMBL26501233 0.78 PAOX (0.40) HRH3KCNH2KMT2AMEN1MAPT
SCHEMBL26501216 0.78 PAOX (0.40) HRH3KCNH2KMT2AMEN1MAPT

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 HRH3 3236/4885CYP2D6 3961/4885CYP2C19 4584/4885

“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.