SCHEMBL882874

SCHEMBL882874

CO/N=C(\C)c1cccc(CCCO/N=C(\C)c2cccc(-c3ccccc3OC)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
CTSA P10619 2/20 0.38
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
NR3C2 P08235 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGER1 P34995 1/20 0.33
KCNH2 Q12809 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
SCHEMBL10272869 0.88 HSD17B14 (0.34) ALDH1A1HPGDPTGER1
SCHEMBL10273200 0.88 CNR2 (0.41) CTSAPTGER1KCNH2
SCHEMBL10273816 0.85 PDE10A (0.36) PPARGPPARAMEN1KMT2ARAB9A
SCHEMBL10272878 0.82 KCNH2 (0.35) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL10272863 0.82 PPARG (0.32) ALDH1A1HPGDCTSAPPARGPPARA
SCHEMBL10273019 0.81 LIPG (0.33) CTSAPPARGPPARASMN1; SMN2LMNA
SCHEMBL10272874 0.81 KCNH2 (0.34) PPARGPPARASMN1; SMN2LMNAKCNH2
SCHEMBL10272877 0.81 KCNH2 (0.36) PPARGPPARASMN1; SMN2LMNAKCNH2
SCHEMBL16172520 0.81 KCNH2 (0.35) PPARASMN1; SMN2LMNAKCNH2NPC1
SCHEMBL10272871 0.80 CNR2 (0.39) ALDH1A1HPGDCTSASMN1; SMN2HTT

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 ALDH1A1 1154/4885HPGD 1427/4885CTSA 269/4885

“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.