SCHEMBL882653

SCHEMBL882653

CON=C(c1ccccc1)c1cccc(CCCO/N=C(\C)c2cccc(C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.38
PPARA Q07869 7/20 0.35
PPARG P37231 7/20 0.35
TBXAS1 P24557 4/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10273021 0.96 TBXA2R (0.40) TBXA2RPPARGTBXAS1
SCHEMBL882894 0.89 HSP90AA1 (0.38) PPARAPPARGLMNAL3MBTL1
SCHEMBL10273807 0.86 HSP90AA1 (0.37) PPARAPPARGLMNAL3MBTL1
SCHEMBL10273210 0.83 TBXA2R (0.44) TBXA2RTBXAS1LMNAHTTL3MBTL1
SCHEMBL882650 0.83 HSP90AA1 (0.34) PPARAPPARG
SCHEMBL882865 0.82 HSP90AA1 (0.38) PPARAPPARGLMNAL3MBTL1
SCHEMBL10273698 0.82 HSP90AA1 (0.38) PPARAPPARGLMNAL3MBTL1
SCHEMBL10272879 0.82 HSP90AA1 (0.33) PPARG
SCHEMBL882652 0.82 HSP90AA1 (0.33) PPARG
SCHEMBL882995 0.81 P2RX7 (0.40) PPARAPPARG

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 1428/4885PPARA 3301/4885PPARG 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.