SCHEMBL882858

SCHEMBL882858

CO/N=C(\C)c1cccc(CCCO/N=C(\c2ccccc2)c2nc(OC)cc(OC)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.38
TBXAS1 P24557 6/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL882875 0.88 KCNH2 (0.33) PPARGPPARA
SCHEMBL10273021 0.83 TBXA2R (0.40) TBXA2RTBXAS1PPARG
SCHEMBL10273210 0.83 TBXA2R (0.44) TBXA2RTBXAS1
SCHEMBL10273019 0.81 LIPG (0.33) PPARGPPARA
SCHEMBL882884 0.79 KCNH2 (0.33)
SCHEMBL882653 0.79 TBXA2R (0.38) TBXA2RTBXAS1PPARGPPARA
SCHEMBL16172520 0.78 KCNH2 (0.35) PPARA
SCHEMBL10273211 0.78 LMNA (0.40) TBXA2RTBXAS1
SCHEMBL10272878 0.77 KCNH2 (0.35) PPARGPPARA
SCHEMBL16172555 0.77 TBXA2R (0.42) TBXA2RTBXAS1

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 TBXA2R 1428/4885TBXAS1 1717/4885PPARG 3152/4885

“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.