SCHEMBL433985

SCHEMBL433985

COC(=O)COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
ALOX15 P16050 1/20 0.62
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14963232 0.87 KDM4E (0.62) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL14963235 0.87 KDM4E (0.62) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL30987784 0.85 KDM4E (0.86) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL433307 0.84 KDM4E (0.58) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL3295915 0.84 KDM4E (0.64) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL434624 0.82 KDM4E (0.80) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL10482215 0.79 MAPT (0.60) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL23998044 0.78 KDM4E (0.73) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL3829818 0.78 MAPT (0.58) KDM4EKMT2AMEN1MAPTALOX15
SCHEMBL28919085 0.78 KDM4E (0.56) KDM4EKMT2AMEN1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131126-A1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE POSSESSING ANTIVIRAL EFFICACY JSC GRINDEKS (LV) 2013-05-23 US disclosed
US-20130131126-A1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE POSSESSING ANTIVIRAL EFFICACY JSC GRINDEKS (LV) 2013-05-23 US disclosed
US-20130131126-A1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE POSSESSING ANTIVIRAL EFFICACY JSC GRINDEKS (LV) 2013-05-23 US disclosed
EP-2593430-A1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE POSSESSING ANTIVIRAL EFFICACY Grindeks (LV) 2013-05-22 EP disclosed
WO-2012010276-A1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE POSSESSING ANTIVIRAL EFFICACY GRINDEKS (LV) 2012-01-26 WO disclosed
WO-2012010276-A1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE POSSESSING ANTIVIRAL EFFICACY GRINDEKS (LV) 2012-01-26 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 (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-20130131126-A1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE POSSESSING ANTIVIRAL EFFICACY IFNAR1, SARS1, MAVS KDM4E 43/4885KMT2A 717/4885MEN1 3231/4885

“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.