SCHEMBL5023010

SCHEMBL5023010

COc1cccc(C(c2ccccc2)(c2ccccc2)C(O)CCCCCN)c1OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
KIF11 P52732 4/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC7A5 Q01650 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NR3C2 P08235 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL8734436 0.89 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ACNR1CNR2
SCHEMBL5023004 0.89 CHRM2 (0.39) CHRM2KIF11KCNH2ACHESLC7A5
SCHEMBL9068005 0.84 L3MBTL1 (0.37) SMN1; SMN2NPC1RAB9ANFE2L2
SCHEMBL9261650 0.84 TAS1R3 (0.36) CHRM2KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL10586377 0.81 TAAR1 (0.38) KIF11KCNH2SMN1; SMN2TAAR1NR3C2
SCHEMBL5023008 0.79 KIF11 (0.56) KIF11KCNH2SLC7A5
SCHEMBL8729134 0.78 NFE2L2 (0.41) SMN1; SMN2NPC1RAB9ANFE2L2
SCHEMBL8734430 0.78 NR3C2 (0.37) SMN1; SMN2NR3C2
SCHEMBL5022963 0.77 KIF11 (0.36) CHRM2KIF11KCNH2ACHESLC7A5
SCHEMBL9559238 0.77 NFE2L2 (0.34) KIF11SMN1; SMN2NPC1RAB9ANFE2L2

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.