SCHEMBL882995

SCHEMBL882995

CC(=O)c1cccc(CCCO/N=C(\C)c2cccc(C)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
HSP90AA1 P07900 1/20 0.37
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
GRM5 P41594 1/20 0.35
PPARA Q07869 6/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 6/20 0.34
HKDC1 Q2TB90 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL882865 0.89 HSP90AA1 (0.38) P2RX7HSP90AA1CYP4F2CYP4A11GRM5
SCHEMBL882894 0.89 HSP90AA1 (0.38) P2RX7HSP90AA1CYP4F2CYP4A11GRM5
SCHEMBL10273698 0.89 HSP90AA1 (0.38) P2RX7HSP90AA1CYP4F2CYP4A11GRM5
SCHEMBL876825 0.89 P2RX7 (0.36) P2RX7HSP90AA1CYP4F2CYP4A11GRM5
SCHEMBL5020366 0.88 CCR1 (0.41) P2RX7HSP90AA1CYP4F2CYP4A11GRM5
SCHEMBL5020218 0.88 P2RX7 (0.36) P2RX7HSP90AA1CYP4F2CYP4A11GRM5
SCHEMBL5020358 0.86 HSP90AA1 (0.36) P2RX7HSP90AA1CYP4F2CYP4A11HKDC1
SCHEMBL10273807 0.85 HSP90AA1 (0.37) P2RX7HSP90AA1CYP4F2CYP4A11GRM5
SCHEMBL5020378 0.85 GRM5 (0.37) P2RX7HSP90AA1GRM5PPARAMEN1
SCHEMBL15464235 0.85 GRM5 (0.37) P2RX7HSP90AA1GRM5PPARAMEN1

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-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US 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 P2RX7 630/4885HSP90AA1 2350/4885CYP4F2 1570/4885

“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.