SCHEMBL16124244

SCHEMBL16124244

OCCCCCCCCc1ccco1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
CHRM2 P08172 1/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 3/20 0.42
ALOX5 P09917 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
HTR2B P41595 1/20 0.37
GLS O94925 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL11354590 1.00 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL9508203 1.00 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL7278345 1.00 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL30252278 1.00 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL2231148 0.98 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL837175 0.91
Acetic Acid SCHEMBL9705698 0.89 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL7093157 0.89 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL7094868 0.87 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2
1,5-Pentanediol SCHEMBL29013568 0.85 CHRM2 (0.46) ALDH1A1TDP1CYP3A4ALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215499-B1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES EMERGENT VIROLOGY LLC (US) 2021-01-20 EP disclosed
EP-3215499-B1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES EMERGENT VIROLOGY LLC (US) 2021-01-20 EP disclosed
US-10428022-B2 Iminosugars useful for the treatment of viral diseases EMERGENT VIROLOGY LLC (US) 2019-10-01 US disclosed
US-10428022-B2 Iminosugars useful for the treatment of viral diseases EMERGENT VIROLOGY LLC (US) 2019-10-01 US disclosed
US-20180273473-A1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2018-09-27 US disclosed
EP-3215499-A1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES Emergent Virology LLC (US) 2017-09-13 EP disclosed
WO-2016073652-A1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES UNITHER VIROLOGY, LLC (US) 2016-05-12 WO disclosed
US-20140287024-A1 NANOPARTICLE-BASED DELIVERY SYSTEM WITH OXIDIZED PHOSPHOLIPIDS AS TARGETING LIGANDS FOR THE PREVENTION, DIAGNOSIS AND TREATMENT OF ATHEROSCLEROSIS WANG SHU (US) 2014-09-25 US disclosed
US-20140287024-A1 NANOPARTICLE-BASED DELIVERY SYSTEM WITH OXIDIZED PHOSPHOLIPIDS AS TARGETING LIGANDS FOR THE PREVENTION, DIAGNOSIS AND TREATMENT OF ATHEROSCLEROSIS WANG SHU (US) 2014-09-25 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-10428022-B2 Iminosugars useful for the treatment of viral diseases GBA1, MAN2B1, GBA2 ALDH1A1 1770/4885TDP1 2343/4885CYP3A4 3573/4885
US-20180273473-A1 IMINOSUGARS USEFUL FOR THE TREATMENT OF VIRAL DISEASES GBA1, MAN2B1, GBA2 ALDH1A1 1770/4885TDP1 2343/4885CYP3A4 3573/4885
US-20140287024-A1 NANOPARTICLE-BASED DELIVERY SYSTEM WITH OXIDIZED PHOSPHOLIPIDS AS TARGETING LIGANDS FOR THE PREVENTION, DIAGNOSIS AND TREATMENT OF ATHEROSCLEROSIS LDLR, APOB, MSR1 ALDH1A1 3121/4885TDP1 4584/4885CYP3A4 3908/4885

“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.