SCHEMBL10035458

SCHEMBL10035458

COC(=O)C1C(C(=O)OCC(=O)O)=C(C)NC(C)=C1C(=O)OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.55
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 5/20 0.54
HTT P42858 3/20 0.54
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 4/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.45
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14963236 0.94 KDM4E (0.50) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL10035459 0.84 KDM4E (0.59) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL10001053 0.80 ALDH1A1 (0.56) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL10001050 0.80 KDM4E (0.70) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL10001049 0.78 KDM4E (0.58) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL10001052 0.77 ADORA3 (0.49) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL11198627 0.71 KDM4E (0.51) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL3323518 0.70 GAA (1.00) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL432202 0.70 KDM4E (0.66) KDM4EPOLBGAAALDH1A1HTT
SCHEMBL10001054 0.69 ALDH1A1 (0.54) KDM4EPOLBGAAALDH1A1HTT

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 3 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
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 43/4885POLB 643/4885GAA 1995/4885

“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.