SCHEMBL15908462

SCHEMBL15908462

CC(C)(CC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
GAA P10253 2/20 0.55
MGLL Q99685 2/20 0.50
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.46
NR1H4 Q96RI1 1/20 0.46
HTR2A P28223 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ELANE P08246 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
PTPN7 P35236 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
SCHEMBL14495188 0.89 BCL9 (0.59) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL4941164 0.85 ELANE (0.61) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL28101844 0.84 BCL9 (0.50) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL3310085 0.83 GAA (0.58) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL3101316 0.83 BCL9 (0.56) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL20931042 0.83 BCL9 (0.59) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL21853704 0.82 GAA (0.57) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL27301103 0.82 GAA (0.57) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL12691183 0.82 ELANE (0.54) BCL9CTNNB1GAAMGLLALDH1A1
SCHEMBL734833 0.81 GAA (0.56) BCL9CTNNB1GAAMGLLALDH1A1

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
US-11123304-B2 Nanoparticles having poly(ester amide) polymer cores as drug delivery vehicles THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-09-21 US disclosed
US-20190350870-A1 Particles as Delivery Systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-11-21 US disclosed
US-20140213738-A1 POLY(ESTER AMIDE)S AND POLY(ESTER ETHER AMIDE)S WITH ALIPHATIC POLYESTERS, METHOD OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY (US) 2014-07-31 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 (2 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-11123304-B2 Nanoparticles having poly(ester amide) polymer cores as drug delivery vehicles ASGR1, F12, MSR1 BCL9 2435/4885CTNNB1 4391/4885GAA 465/4885
US-20190350870-A1 Particles as Delivery Systems MTREX, APOB, HDLBP BCL9 1961/4885CTNNB1 4310/4885GAA 1058/4885

“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.