SCHEMBL882639

SCHEMBL882639

CO/N=C(\C)c1cc(OC)cc(CCCO/N=C(\C)c2cccc(C)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL882894 0.89 HSP90AA1 (0.38) HSP90AA1PPARGPPARACYP4F2CYP4A11
SCHEMBL10273017 0.87 HSP90AA1 (0.32) HSP90AA1
SCHEMBL882654 0.86 NPC1 (0.32) HSP90AA1
SCHEMBL10273807 0.86 HSP90AA1 (0.37) HSP90AA1PPARGPPARACYP4F2CYP4A11
SCHEMBL5020447 0.84 CCR1 (0.33) HSP90AA1PPARGPPARAHTR1AHTR2A
SCHEMBL15465206 0.84 CCR1 (0.33) HSP90AA1PPARGPPARAHTR1AHTR2A
SCHEMBL882870 0.84 PPARA (0.32) HSP90AA1PPARGPPARA
SCHEMBL10273016 0.83 NPC1 (0.31) HSP90AA1
SCHEMBL883003 0.81 KCNH2 (0.32) PPARGPPARACYP4F2CYP4A11
SCHEMBL16164006 0.81 KCNH2 (0.32) PPARGPPARACYP4F2CYP4A11

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
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 HSP90AA1 2350/4885PPARG 3152/4885PPARA 3301/4885

“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.