SCHEMBL17080657

SCHEMBL17080657

CCOCCNC(=O)c1cc(B(O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
MYC P01106 1/20 0.39
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL15999478 0.85 ALDH1A1 (0.58) POLBLMNANPC1CYP3A4ALDH1A1
SCHEMBL17080658 0.80 LMNA (0.55) POLBLMNANPC1CYP3A4ALDH1A1
SCHEMBL18079540 0.75 HPGD (0.58) POLBALDH1A1HPGDKDM4EMEN1
SCHEMBL17080656 0.75 LMNA (0.52) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL17998207 0.74 HPGD (0.57) NPC1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL3587685 0.74 LMNA (0.56) POLBLMNANPC1CYP3A4ALDH1A1
SCHEMBL20978673 0.73 ALDH1A1 (0.39) LMNANPC1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL26757982 0.73 KMT2A (0.51) POLBLMNANPC1CYP3A4ALDH1A1
SCHEMBL16364997 0.72 HPGD (0.53) POLBLMNANPC1CYP3A4ALDH1A1
SCHEMBL1668197 0.72 POLB (0.53) POLBLMNANPC1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000902-A1 EGFR-TARGETED NANOPARTICLES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-01-05 US disclosed
US-9446149-B2 Nanoparticles stabilized with nitrophenylboronic acid compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20160000934-A1 NANOPARTICLES STABILIZED WITH NITROPHENYLBORONIC ACID COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-9132097-B2 Nanoparticles stabilized with nitrophenylboronic acid compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-15 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-20160000934-A1 NANOPARTICLES STABILIZED WITH NITROPHENYLBORONIC ACID COMPOSITIONS NCL, B3GNT2, NBAS POLB 832/4885LMNA 653/4885NPC1 191/4885
US-20170000902-A1 EGFR-TARGETED NANOPARTICLES EGFR, ERBB2, ERBB3 POLB 3470/4885LMNA 2532/4885NPC1 1112/4885

“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.