SCHEMBL6554205

SCHEMBL6554205

COc1ccc(C(c2ccc(CCC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
GAA P10253 3/20 0.54
MAPT P10636 2/20 0.53
RAB9A P51151 1/20 0.53
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BMP1 P13497 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
F2RL1 P55085 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL5729901 0.93 BCL9 (0.65) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL6554428 0.85 BCL9 (0.55) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL6554410 0.84 BCL9 (0.54) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL16056068 0.82 BCL9 (0.65) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL12715327 0.81 BCL9 (0.62) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL16055727 0.80 BCL9 (0.61) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL16056553 0.80 BCL9 (0.61) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL16055480 0.80 BCL9 (0.61) KMT2ABCL9CTNNB1GAAMAPT
SCHEMBL9523677 0.80 KMT2A (0.60) KMT2ABCL9CTNNB1MAPTKCNH2
SCHEMBL6659906 0.79 BCL9 (0.64) KMT2ABCL9CTNNB1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 EP disclosed
US-6828435-B2 Three blocking groups are independently removable under 3 different conditions; using new protection schemes and solid phase synthesis, oligonucleotides are obtained in 5' to 3' direction using phosphoamidites and avoiding depurination HK PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules CAPROTEC BIOANALYTICS GMBH (DE) 2003-03-20 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-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules ADAR, RNMT, RRM1 KMT2A 3132/4885BCL9 4048/4885CTNNB1 4360/4885

“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.