SCHEMBL20167799

SCHEMBL20167799

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(c2ccc(C=O)cc2[N+](=O)[O-])CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.58
ALDH1A1 P00352 10/20 0.58
ALDH1A3 P47895 1/20 0.58
LMNA P02545 7/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 4/20 0.46
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL30522472 1.00 MAPT (0.58) MAPTALDH1A1ALDH1A3LMNAKDM4E
SCHEMBL22147373 0.84 MAPT (0.66) MAPTALDH1A1ALDH1A3LMNAKDM4E
SCHEMBL5693165 0.84 MAPT (0.62) MAPTALDH1A1ALDH1A3LMNACYP2C9
Hydrochloric Acid SCHEMBL20168195 0.83 MAPT (0.64) MAPTALDH1A1ALDH1A3LMNAKDM4E
SCHEMBL2076697 0.83 MAPT (0.64) MAPTALDH1A1ALDH1A3LMNAKDM4E
SCHEMBL5693187 0.77 MAPT (0.69) MAPTALDH1A1ALDH1A3LMNAKDM4E
SCHEMBL27917040 0.76 ALDH1A1 (0.76) MAPTALDH1A1ALDH1A3LMNAKDM4E
SCHEMBL1419188 0.75 ALDH1A1 (1.00) MAPTALDH1A1ALDH1A3LMNACYP1A2
SCHEMBL25166792 0.74 ALDH1A1 (0.60) MAPTALDH1A1ALDH1A3LMNACYP1A2
SCHEMBL30231654 0.74 ALDH1A1 (0.60) MAPTALDH1A1ALDH1A3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541368-B1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF US HEALTH (US) 2023-07-12 EP disclosed
US-11382990-B2 Imageable polymers, methods of making and methods of use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2022-07-12 US disclosed
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-06-25 US disclosed
EP-3541368-A1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2019-09-25 EP disclosed
WO-2018093566-A1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-24 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 (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-11382990-B2 Imageable polymers, methods of making and methods of use thereof PUF60, PBRM1, PCBP1 MAPT 1982/4885ALDH1A1 4268/4885ALDH1A3 2755/4885
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof PUF60, PBRM1, PCBP1 MAPT 1982/4885ALDH1A1 4268/4885ALDH1A3 2755/4885

“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.