SCHEMBL1935692

SCHEMBL1935692

CC(C)(C)OC(=O)c1cccc2c(C=O)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
ERN1 O75460 2/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AR P10275 2/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 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
SCHEMBL14627192 0.87 AR (0.41) CA1CA2ARGABRPGABRD
SCHEMBL2592464 0.84 ALOX12 (0.41) ARGABRPGABRDGABRA1GABRB1
SCHEMBL12157106 0.84 ALOX12 (0.41) ARGABRPGABRDGABRA1GABRB1
SCHEMBL1937149 0.84 ALOX12 (0.41) ARGABRPGABRDGABRA1GABRB1
SCHEMBL97166 0.83 MEN1 (0.41) ERN1TLR2TLR1TLR6CA1
SCHEMBL3897604 0.82 PIM1 (0.53) PIM1PIM3ERN1TLR2TLR1
SCHEMBL20797216 0.81 PDK1 (0.37) PIM1PIM3ERN1TLR2TLR1
SCHEMBL27880238 0.81 RAB9A (0.37) PIM1PIM3ERN1TLR2TLR1
SCHEMBL2947290 0.81 ERN1 (0.39) PIM1PIM3ERN1TLR2TLR1
SCHEMBL2591286 0.80 KMT2A (0.34) ARGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
US-9216973-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-12-22 US disclosed
EP-2331536-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-21 EP disclosed
EP-2331536-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-21 EP disclosed
US-20130165485-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-06-27 US disclosed
US-20130165485-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-06-27 US disclosed
US-20130165485-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-06-27 US disclosed
US-20110269804-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-03 US disclosed
US-20110269804-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-03 US disclosed
US-20110269804-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-11-03 US disclosed
EP-2331536-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2011-06-15 EP disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 WO disclosed
WO-2010020522-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-02-25 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-20130165485-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, CHRM5 PIM1 4654/4885PIM3 4630/4885ERN1 1873/4885
US-20110269804-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, C1R PIM1 4569/4885PIM3 4566/4885ERN1 1928/4885

“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.