SCHEMBL13872003

SCHEMBL13872003

CCC(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
ACHE P22303 5/20 0.51
BCHE P06276 2/20 0.51
TYR P14679 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL11283904 0.92 TDP1 (0.57) PPARGPPARDPPARAACHEBCHE
SCHEMBL21165788 0.86 SLC6A2 (0.49) PPARGPPARDPPARAACHEBCHE
SCHEMBL12844553 0.83 PPARG (0.55) PPARGPPARDPPARAACHEL3MBTL1
SCHEMBL30491037 0.82 BCHE (0.73) ACHEBCHETYRGAANPSR1
SCHEMBL5132140 0.82 ALDH1A1 (0.53) ACHEBCHETYRL3MBTL1TDP1
SCHEMBL5072122 0.82 BCHE (0.73) ACHEBCHETYRGAANPSR1
SCHEMBL8298141 0.81 ALDH1A1 (0.60) PPARGPPARDPPARAACHEL3MBTL1
SCHEMBL7182938 0.81 PPARG (0.53) PPARGPPARDPPARAACHEL3MBTL1
SCHEMBL8319878 0.80 PDE4A (0.57) ACHEBCHETYRL3MBTL1MAPT
SCHEMBL13955907 0.79 PPARG (0.55) PPARGPPARDPPARAACHEL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 US 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 PPARG 1735/4885PPARD 2242/4885PPARA 2832/4885

“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.