SCHEMBL535592

SCHEMBL535592

O=C(O)CCCOc1ccc2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
PDE3B Q13370 7/20 0.55
PDE3A Q14432 7/20 0.55
PDE2A O00408 5/20 0.55
P2RY12 Q9H244 4/20 0.55
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
FFAR4 Q5NUL3 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYSLTR2 Q9NS75 3/20 0.52
CYSLTR1 Q9Y271 3/20 0.52
ALOX5 P09917 1/20 0.50
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
FABP1 P07148 1/20 0.47

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
SCHEMBL7978731 0.84 PTPN7 (0.66) MCL1PDE3BPDE3APDE2AP2RY12
SCHEMBL30539402 0.82 PTPN7 (0.67) PDE3BPDE3APDE2AP2RY12PPARA
SCHEMBL20886118 0.82 PTPN7 (0.67) PDE3BPDE3APDE2AP2RY12PPARA
SCHEMBL23412215 0.81 ALDH1A1 (0.58) MCL1PDE3BPDE3APDE2AP2RY12
SCHEMBL9950393 0.80 PPARG (0.60) MCL1PPARAPPARGALDH1A1CYSLTR2
SCHEMBL4315187 0.80 NPC1 (0.55) MCL1PDE3BPDE3APDE2AP2RY12
SCHEMBL6483474 0.80 PTPN7 (0.60) PDE3BPDE3APDE2AP2RY12PPARA
Bromide SCHEMBL592843 0.80 ALOX5 (0.56) MCL1PDE3BPDE3AP2RY12PPARA
SCHEMBL26125762 0.79 ALDH1A1 (0.50) MCL1PPARAPPARGALDH1A1ALOX5
SCHEMBL5398136 0.79 PPARG (0.50) MCL1PPARAPPARGALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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 (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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 MCL1 1502/4885PDE3B 2928/4885PDE3A 2101/4885

“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.