SCHEMBL3083137

SCHEMBL3083137

Cc1c(O)c(=O)ccn1CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
TP53 P04637 1/20 0.61
CYP2D6 P10635 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM6A O15550 1/20 0.52
KDM4A O75164 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM5C P41229 1/20 0.52
KDM2B Q8NHM5 1/20 0.52
DOHH Q9BU89 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
COMT P21964 2/20 0.49
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
APP P05067 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KMT2A Q03164 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
SCHEMBL18379543 0.86 KDM4E (0.57) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL13856905 0.84 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9701411 0.83 KDM4E (0.46) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL3686713 0.83 KDM4E (0.58) KDM4ETP53CYP2D6HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8092834 0.81 KDM4E (0.56) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8611607 0.81 KDM4E (0.53) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9700234 0.80 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9515275 0.80 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8102001 0.80 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL5525055 0.79 KDM4E (0.62) KDM4ETP53CYP2D6HTTSMN1; SMN2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005916-A Modified polyamino acid derivative with conformational regulating capability, preparation and application thereof 四川大学 2024-05-10 CN claimed
CN-118005931-A Polymer nano material with metal binding capacity and preparation and application thereof 四川大学 2024-05-10 CN claimed
WO-1992012131-A1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1992-07-23 WO claimed
EP-0494754-A1 3-hydroxypyridin-4-one derivatives as pharmaceutical compositions BRITISH TECHNOLOGY GROUP LTD (GB) 1992-07-15 EP claimed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP claimed
CN-118005931-A Polymer nano material with metal binding capacity and preparation and application thereof 四川大学 2024-05-10 CN disclosed
CN-118005916-A Modified polyamino acid derivative with conformational regulating capability, preparation and application thereof 四川大学 2024-05-10 CN disclosed
US-20180338897-A1 ORAL COMPOSITIONS FOR REDUCING DENTAL STAINS NEW YORK UNIVERSITY 2018-11-29 US disclosed
US-20150096755-A1 COMPOSITIONS COMPRISING CARBON DIOXIDE AND REVERSE MICELLES AND METHODS OF USE NEW YORK UNIVERSITY (US) 2015-04-09 US disclosed
US-20150096755-A1 COMPOSITIONS COMPRISING CARBON DIOXIDE AND REVERSE MICELLES AND METHODS OF USE NEW YORK UNIVERSITY (US) 2015-04-09 US disclosed
US-20150096755-A1 COMPOSITIONS COMPRISING CARBON DIOXIDE AND REVERSE MICELLES AND METHODS OF USE NEW YORK UNIVERSITY (US) 2015-04-09 US disclosed
EP-2215052-B1 DESFERRIOXAMINE CONJUGATES, DERIVATIVES AND ANALOGUES CODD RACHEL (AU) 2013-07-24 EP disclosed
WO-1996022021-A1 PROTEIN HYDROXYLATION INHIBITORS FOR FIBROPROLIFERATIVE DISORDERS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-07-25 WO disclosed
WO-1992012131-A1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVES AS PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1992-07-23 WO disclosed
EP-0494754-A1 3-hydroxypyridin-4-one derivatives as pharmaceutical compositions BRITISH TECHNOLOGY GROUP LTD (GB) 1992-07-15 EP disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 EP disclosed
US-4650793-A NITROGEN-SUBSTITUTED NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-03-17 US disclosed
US-4585780-A CHELATION OF HEAVY METALS IN BLOOD NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-04-29 US disclosed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP 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 (1 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-20180338897-A1 ORAL COMPOSITIONS FOR REDUCING DENTAL STAINS G6PD, SDHB, SDHA KDM4E 3168/4885TP53 1683/4885CYP2D6 717/4885

“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.