SCHEMBL1793271

SCHEMBL1793271

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCC(CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.36
CHRM3 P20309 8/20 0.36
CHRM1 P11229 6/20 0.36
CYP2D6 P10635 2/20 0.33
HRH1 P35367 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
SCN1A P35498 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL1792702 0.82 PTGIR (0.31) CHRM3
SCHEMBL8729145 0.73 LMNA (0.37) CHRM2CHRM3LMNAATML3MBTL1
SCHEMBL8727525 0.73 LMNA (0.37) CHRM2CHRM3LMNAATML3MBTL1
SCHEMBL12613814 0.69 SLC6A11 (0.47) MEN1KMT2AKCNH2CYP3A4
SCHEMBL8343421 0.69 LMNA (0.40) CHRM2CHRM3CHRM1CYP2D6HRH1
SCHEMBL8346731 0.69 ATM (0.41) CHRM2CHRM3CHRM1CYP2D6ATM
SCHEMBL6855483 0.65 KDM4E (0.31) CYP2D6
SCHEMBL6801407 0.65 KDM4E (0.31) CYP2D6
Ethylene Glycol SCHEMBL11275979 0.64 KIF11 (0.45) KCNH2CYP3A4CYP2C9ALDH1A1TSHR
Biphenyl SCHEMBL28424673 0.64 CYP2D6 (0.49) CYP2D6MEN1KMT2AESR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-10-06 US disclosed
US-7951926-B2 Method for the synthesis of oligonucleotide derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-05-31 US disclosed
EP-2021351-A2 METHOD FOR THE SYNTHESIS OF TRIAZOLE-CONTAINING OLIGONUCLEOTIDE DERIVATIVES Centre National de la Recherche Scientifique (FR) 2009-02-11 EP disclosed
WO-2007125429-A2 METHOD FOR THE SYNTHESIS OF TRIAZOLE- CONTAINING OLIGONUCLEOTIDE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-11-08 WO 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-20110245478-A1 Method for the Synthesis of Oligonucleotide Derivatives MSN, RNGTT, DCLRE1B CHRM2 4570/4885CHRM3 3251/4885CHRM1 4618/4885

“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.