SCHEMBL876817

SCHEMBL876817

CCOC(=O)C(C)=Cc1cccc(C2(C)OCCO2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CYP1A2 P05177 4/20 0.35
GAA P10253 2/20 0.35
GLO1 Q04760 1/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 6/20 0.35
LMNA P02545 4/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.33
GRM5 P41594 1/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 2/20 0.33
HPGD P15428 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
SCHEMBL876816 1.00 MEN1 (0.37) MEN1KMT2ACYP1A2GAAGLO1
SCHEMBL945791 0.76 MEN1 (0.41) MEN1KMT2ACYP1A2GLO1MAPT
SCHEMBL14722586 0.75 KMT2A (0.41) MEN1KMT2ACYP1A2GAALMNA
SCHEMBL878331 0.75
SCHEMBL2962538 0.73 MEN1 (0.47) MEN1KMT2ACYP1A2GAAMAPT
SCHEMBL2962534 0.73 MEN1 (0.47) MEN1KMT2ACYP1A2GAAMAPT
SCHEMBL877018 0.72 CCR1 (0.34) GAAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL877457 0.72
SCHEMBL12047165 0.70 KDM4E (0.51) MEN1KMT2ACYP1A2GAAMAPT
SCHEMBL14586836 0.70 TSHR (0.35) MEN1KMT2AGAAMAPTLMNA

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-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 MEN1 1521/4885KMT2A 3934/4885CYP1A2 530/4885

“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.