SCHEMBL6554428

SCHEMBL6554428

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 3/20 0.54
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BMP1 P13497 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2RL1 P55085 1/20 0.44

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 0.92 BCL9 (0.65) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL6554410 0.90 BCL9 (0.54) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL6554205 0.85 KMT2A (0.57) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL16056068 0.81 BCL9 (0.65) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL12715327 0.80 BCL9 (0.62) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL16055480 0.79 BCL9 (0.61) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL16056553 0.79 BCL9 (0.61) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL16055727 0.79 BCL9 (0.61) BCL9CTNNB1MAPTRAB9AGAA
SCHEMBL9523677 0.79 KMT2A (0.60) BCL9CTNNB1MAPTALDH1A1KMT2A
SCHEMBL6659906 0.79 BCL9 (0.64) BCL9CTNNB1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080248584-A1 Biopolymer ionization; liquid chromatography OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2008-10-09 US disclosed
US-20080248584-A1 Biopolymer ionization; liquid chromatography OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2008-10-09 US disclosed
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-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES CAPROTEC BIOANALYTICS GMBH (DE) 2003-10-16 US disclosed
US-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules CAPROTEC BIOANALYTICS GMBH (DE) 2003-03-20 US disclosed
EP-0898575-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KÖSTER, Hubert (US) 1999-03-03 EP disclosed
WO-1997041139-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT (US) 1997-11-06 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 (3 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-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES ADAR, RNMT, ATIC BCL9 3898/4885CTNNB1 4205/4885MAPT 2388/4885
US-20080248584-A1 Biopolymer ionization; liquid chromatography F12, F13B, F13A1 BCL9 2920/4885CTNNB1 2481/4885MAPT 2903/4885
US-20030054410-A1 Combinatorial protecting group strategy for multifunctional molecules ADAR, RNMT, RRM1 BCL9 4048/4885CTNNB1 4360/4885MAPT 2848/4885

“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.