SCHEMBL12804228

SCHEMBL12804228

O=C(CCN1C(=O)CCC1=O)ON1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL21385132 0.90 MAPT (0.41) HPGDALDH1A1SMN1; SMN2HTTPTGS1
SCHEMBL157545 0.87 PTGS1 (0.41) HPGDALDH1A1CYP1A2CYP2C19BLM
SCHEMBL913292 0.86 SMN1; SMN2 (0.38) HPGDALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL5961226 0.86 PTGS1 (0.46) HPGDALDH1A1CYP1A2CYP2C19BLM
SCHEMBL4526904 0.83 GSK3A (0.43) HPGDALDH1A1CYP1A2CYP2C19BLM
SCHEMBL20463167 0.81 KMT2A (0.35) HPGDALDH1A1CYP1A2CYP2C19BLM
SCHEMBL18122756 0.81 SMN1; SMN2 (0.38) HPGDALDH1A1CYP1A2CYP2C19BLM
SCHEMBL24916692 0.80 ALDH1A1 (0.34) HPGDALDH1A1CYP1A2CYP2C19BLM
SCHEMBL17915513 0.80 PTGS1 (0.36) HPGDALDH1A1CYP1A2CYP2C19BLM
SCHEMBL14473389 0.80 ALDH1A1 (0.34) HPGDALDH1A1CYP1A2CYP2C19BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604383-B1 PRODUCTION METHOD OF POLYOXYETHYLENE DERIVATIVE HAVING PLURALITY OF HYDROXYL GROUPS AT TERMINAL NOF CORP (JP) 2023-09-06 EP disclosed
US-10947343-B2 Production method of polyoxyethylene derivative having plurality of hydroxyl groups at terminal NOF CORPORATION (JP) 2021-03-16 US disclosed
CN-107573498-B Polyoxyethylene derivative having plural hydroxyl groups at terminal 日油株式会社 2020-04-24 CN disclosed
US-20200079903-A1 PRODUCTION METHOD OF POLYOXYETHYLENE DERIVATIVE HAVING PLURALITY OF HYDROXYL GROUPS AT TERMINAL NOF CORPORATION (JP) 2020-03-12 US disclosed
EP-3604383-A1 METHOD FOR PRODUCING POLYOXYETHYLENE DERIVATIVE HAVING HYDROXY GROUPS AT TERMINAL NOF Corporation (JP) 2020-02-05 EP disclosed
US-8785660-B2 Polyoxyalkylene-modified lipid and method for producing the same NOF CORPORATION (JP) 2014-07-22 US disclosed
US-20120253053-A1 POLYOXYALKYLENE-MODIFIED LIPID AND METHOD FOR PRODUCING THE SAME NOF CORPORATION (JP) 2012-10-04 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 (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-20200079903-A1 PRODUCTION METHOD OF POLYOXYETHYLENE DERIVATIVE HAVING PLURALITY OF HYDROXYL GROUPS AT TERMINAL ADH1A, ADH1C, LOX HPGD 320/4885ALDH1A1 10/4885CYP1A2 98/4885
US-10947343-B2 Production method of polyoxyethylene derivative having plurality of hydroxyl groups at terminal ADH1A, ADH1C, LOX HPGD 320/4885ALDH1A1 10/4885CYP1A2 98/4885
US-20120253053-A1 POLYOXYALKYLENE-MODIFIED LIPID AND METHOD FOR PRODUCING THE SAME SGMS1, LIPA, SGMS2 HPGD 2215/4885ALDH1A1 244/4885CYP1A2 143/4885

“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.