SCHEMBL5648795

SCHEMBL5648795

COc1cc(C(C)C)c(OC)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
POLB P06746 2/20 0.63
GFER P55789 1/20 0.63
P2RX3 P56373 8/20 0.50
P2RX2 Q9UBL9 8/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL29631745 0.87 GAA (0.58) GAAPOLBGFERP2RX3P2RX2
SCHEMBL2953510 0.86 GAA (0.59) GAAPOLBGFERP2RX3P2RX2
SCHEMBL1099448 0.84 GAA (0.55) GAAPOLBGFERP2RX3P2RX2
SCHEMBL16231126 0.83 POLB (0.59) GAAPOLBGFERP2RX3P2RX2
SCHEMBL12462023 0.82 GAA (0.49) GAAPOLBGFERP2RX3P2RX2
SCHEMBL13124768 0.82 NPC1 (0.62) GAAPOLBGFERP2RX3P2RX2
SCHEMBL14200081 0.81 GAA (0.57) GAAPOLBGFERP2RX3P2RX2
SCHEMBL926329 0.81 L3MBTL1 (0.67) GAAPOLBL3MBTL1PKMALDH1A1
SCHEMBL26551436 0.79 POLB (0.96) GAAPOLBGFERP2RX3P2RX2
SCHEMBL12889915 0.79 GAA (0.57) GAAPOLBGFERP2RX3P2RX2

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-9791399-B2 Derivatization of carbon SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2017-10-17 US disclosed
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 GAA 2151/4885POLB 1514/4885GFER 2880/4885

“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.