SCHEMBL878561

SCHEMBL878561

C=CCc1c(O)c(=O)ccn1CC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
CYP2D6 P10635 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM6A O15550 1/20 0.37
KDM4A O75164 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
DOHH Q9BU89 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
NPC1 O15118 5/20 0.33
KMT2A Q03164 3/20 0.33
APP P05067 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
COMT P21964 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL10480769 0.85 KDM4E (0.42) KDM4EHTTCYP2D6TP53SMN1; SMN2
SCHEMBL958138 0.81 KDM4E (0.55) KDM4EHTTCYP2D6TP53SMN1; SMN2
SCHEMBL3319649 0.80 APP (0.37) KDM4EHTTCYP2D6TP53SMN1; SMN2
SCHEMBL9386569 0.79 KDM4E (0.39) KDM4EHTTCYP2D6TP53SMN1; SMN2
SCHEMBL3316508 0.78 KDM4E (0.34) KDM4EHTTCYP2D6TP53SMN1; SMN2
SCHEMBL9748019 0.73 GABRA1 (0.33) KMT2AGABRA1GABRB2MEN1
SCHEMBL9748012 0.69 ALDH1A1 (0.40) NPC1KMT2ARAB9AMEN1LMNA
SCHEMBL9651154 0.69 ALDH1A1 (0.39) HTTCYP2D6SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7109188 0.66 NPC1 (0.43) KDM4ENPC1KMT2ARAB9AMEN1
SCHEMBL3651867 0.66 NPC1 (0.37) KDM4ECYP2D6NPC1KMT2ARAB9A

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
WO-1989009211-A1 PROCESS FOR PRODUCING PYRID-4-ONES THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-05 WO claimed
EP-0335745-A1 Process for producing pyrid-4-ones THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-04 EP claimed
US-20120077852-A1 HYDROXYPYRIDINONES FOR THE LOCAL TREATMENT OF SKIN MICROCIRCULATORY DISORDERS CARLO GHISALBERTI (BR) 2012-03-29 US disclosed
EP-1567156-B1 HYDROXYPYRIDINONES FOR THE LOCAL TREATMENT OF SKIN MICROCIRCULATORY DISORDERS RELIVIA SRL (IT) 2009-08-26 EP disclosed
US-20060135448-A1 Hydroxypyridinones for the local treatment of skin microcirculatroy disorders RELIVIA S.R.L. (IT) 2006-06-22 US disclosed
EP-1567156-A2 HYDROXYPYRIDINONES FOR THE LOCAL TREATMENT OF SKIN MICROCIRCULATORY DISORDERS RELIVIA SRL (IT) 2005-08-31 EP disclosed
WO-2004045609-A2 HYDROXYPYRIDINONES FOR THE LOCAL TREATMENT OF SKIN MICROCIRCULATORY DISORDERS RELIVIA SRL (IT) 2004-06-03 WO disclosed
WO-1989009211-A1 PROCESS FOR PRODUCING PYRID-4-ONES THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-05 WO disclosed
EP-0335745-A1 Process for producing pyrid-4-ones THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-04 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 (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-20120077852-A1 HYDROXYPYRIDINONES FOR THE LOCAL TREATMENT OF SKIN MICROCIRCULATORY DISORDERS HPGD, HPGDS, MVD KDM4E 1268/4885HTT 3286/4885CYP2D6 1161/4885
US-20060135448-A1 Hydroxypyridinones for the local treatment of skin microcirculatroy disorders HPGD, MVD, HPGDS KDM4E 1203/4885HTT 3249/4885CYP2D6 1501/4885

“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.