SCHEMBL5023004

SCHEMBL5023004

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)CCCCCN

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
KIF11 P52732 5/20 0.38
KCNH2 Q12809 1/20 0.38
NR3C2 P08235 1/20 0.36
ACHE P22303 1/20 0.36
SLC7A5 Q01650 4/20 0.36
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACE P12821 1/20 0.32

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
SCHEMBL5023010 0.89 CHRM2 (0.36) CHRM2KIF11KCNH2NR3C2ACHE
SCHEMBL8734430 0.88 NR3C2 (0.37) NR3C2HTTALDH1A1
SCHEMBL10586377 0.87 TAAR1 (0.38) KIF11KCNH2NR3C2HTTTAAR1
SCHEMBL5022963 0.85 KIF11 (0.36) CHRM2KIF11KCNH2NR3C2ACHE
SCHEMBL9068000 0.82 AGTR1 (0.39) NR3C2HTTALDH1A1
SCHEMBL5023008 0.82 KIF11 (0.56) KIF11KCNH2SLC7A5ALDH1A1
SCHEMBL8734436 0.78 SMN1; SMN2 (0.35) NR3C2HTTALDH1A1
SCHEMBL9559236 0.77 HTT (0.38) KIF11NR3C2HTTALDH1A1
SCHEMBL14937219 0.75 HTT (0.39) NR3C2HTTALDH1A1
SCHEMBL8170752 0.74 SIGMAR1 (0.39) KIF11NR3C2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-7329515-B2 Solid support for the synthesis of 3′-amino oligonucleotides SIGMA-ALDRICH CO. (US) 2008-02-12 US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
EP-1781675-A2 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2007-05-09 EP disclosed
WO-2006020947-A2 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2006-02-23 WO disclosed
US-20040220397-A1 Solid support for the synthesis of 3'-amino oligonucleotides PROLIGO LLC (US) 2004-11-04 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-20040220397-A1 Solid support for the synthesis of 3'-amino oligonucleotides PCNA, DERA, RNGTT CHRM2 3932/4885KIF11 3018/4885KCNH2 4590/4885

“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.