SCHEMBL434624

SCHEMBL434624

CCOC(=O)COC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.80
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
MAPT P10636 2/20 0.80
ALOX15 P16050 1/20 0.80
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 8/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL95164 0.89 KDM4E (1.00) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL14957474 0.87 KDM4E (0.80) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL14963234 0.87 KDM4E (0.80) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL431670 0.84 KDM4E (0.75) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL30987784 0.83 KDM4E (0.86) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL8037231 0.83 KDM4E (0.86) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL17367952 0.83 KDM4E (0.86) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL433985 0.82 KDM4E (0.62) KDM4EMEN1KMT2AMAPTALOX15
Acetic Acid SCHEMBL28855875 0.81 KDM4E (0.83) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL21891255 0.81 KDM4E (0.83) KDM4EMEN1KMT2AMAPTALOX15

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 43/4885MEN1 3231/4885KMT2A 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.