SCHEMBL20179983

SCHEMBL20179983

O=Cc1ccc(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
FAAH O00519 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC4 P56524 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC1 Q13547 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GPR183 P32249 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL23086975 1.00 ALDH1A1 (0.50) ALDH1A1FAAHCYP3A4CYP2D6MAPT
SCHEMBL27990811 0.86 HRH3 (0.52) ALDH1A1FAAHMAPK1SIGMAR1LMNA
SCHEMBL12545574 0.86 ALDH1A1 (0.49) ALDH1A1FAAHCYP3A4CYP2D6MAPT
SCHEMBL4756430 0.84 FAAH (0.52) ALDH1A1FAAHGPR183LMNASMN1; SMN2
SCHEMBL8510915 0.81 ITGB3 (0.56) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL9610969 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL7556163 0.81 SIGMAR1 (0.65) ALDH1A1FAAHSIGMAR1GPR183DRD4
SCHEMBL21044023 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL16641754 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2D6MAPTMAPK1
SCHEMBL2717435 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2D6MAPTMAPK1

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
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
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 ALDH1A1 4268/4885FAAH 4063/4885CYP3A4 3651/4885
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof PUF60, PBRM1, PCBP1 ALDH1A1 4268/4885FAAH 4063/4885CYP3A4 3651/4885

“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.