SCHEMBL3049101

SCHEMBL3049101

CCOc1cc(C(C)O)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
HIF1A Q16665 1/20 0.50
PDE4A P27815 12/20 0.49
PDE4B Q07343 12/20 0.49
PDE4C Q08493 12/20 0.49
PDE4D Q08499 12/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL6055134 0.91 ALDH1A1 (0.48) ALDH1A1HIF1ASMN1; SMN2LMNAMAPK1
SCHEMBL4818551 0.88 PPARG (0.51) ALDH1A1PPARGPPARDPPARAHIF1A
SCHEMBL18652088 0.86 ALDH1A1 (0.50) ALDH1A1PPARGPPARDPPARAHIF1A
SCHEMBL682779 0.86 ALDH1A1 (0.52) ALDH1A1PPARGPPARDPPARAHIF1A
SCHEMBL7333971 0.85 SMPD1 (0.50) PPARGPPARDPPARAHIF1APDE4A
SCHEMBL8238025 0.85 PPARG (0.59) ALDH1A1PPARGPPARDPPARAHIF1A
SCHEMBL670305 0.85 PPARG (0.59) ALDH1A1PPARGPPARDPPARAHIF1A
SCHEMBL18652522 0.85 ALDH1A1 (0.49) ALDH1A1PPARGPPARDPPARAHIF1A
SCHEMBL20459373 0.84 ALDH1A1 (0.51) ALDH1A1HIF1APDE4APDE4BPDE4C
SCHEMBL8007936 0.84 PPARG (0.53) ALDH1A1PPARGPPARDPPARAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 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-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 ALDH1A1 3966/4885PPARG 1464/4885PPARD 1695/4885

“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.