SCHEMBL4907353

SCHEMBL4907353

CCCC=CC(=O)NC(C)CC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.62
TAS1R1 Q7RTX1 2/20 0.62
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
FAAH O00519 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL4907351 1.00 TAS1R3 (0.62) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL1915966 0.81 CNR2 (0.53) TAS1R3TAS1R1CNR1CNR2
SCHEMBL1916220 0.81 CNR2 (0.53) TAS1R3TAS1R1CNR1CNR2
SCHEMBL1916169 0.81 CNR2 (0.53) TAS1R3TAS1R1CNR1CNR2
SCHEMBL1916930 0.81 CNR2 (0.53) TAS1R3TAS1R1CNR1CNR2
SCHEMBL5206148 0.80 MMP1 (0.44) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL13296121 0.80 ALDH1A1 (0.63) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL3294574 0.80 ALDH1A1 (0.63) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL3294577 0.80 ALDH1A1 (0.63) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL6450206 0.80 TAS1R3 (0.57) TAS1R3TAS1R1ALDH1A1GAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9205121-B2 Echinacea formulation Integria Healthcare (Australia) PTY LTD (AU) 2015-12-08 US disclosed
US-20110059194-A1 ECHINACEA FORMULATION MEDIHERB HOLDINGS LTD. (AU) 2011-03-10 US disclosed
US-20080124408-A1 Echinacea Formulation MEDIHERB HOLDINGS LTD. (AU) 2008-05-29 US disclosed
WO-2006002493-A1 AN ECHINACEA FORMULATION MEDIHERB HOLDINGS LTD (AU) 2006-01-12 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 (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-20080124408-A1 Echinacea Formulation FAAH2, ABCC8, FAAH TAS1R3 2003/4885TAS1R1 1484/4885MMP1 3710/4885
US-20110059194-A1 ECHINACEA FORMULATION FAAH2, ABCC8, FAAH TAS1R3 2003/4885TAS1R1 1484/4885MMP1 3710/4885

“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.