SCHEMBL4272867

SCHEMBL4272867

COC(=O)Cc1cccc2c(O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
EGFR P00533 1/20 0.44
ATM Q13315 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 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
SCHEMBL68310 0.91 KDM4E (0.56) KDM4EL3MBTL1TDP1EGFRATM
SCHEMBL12508634 0.86 KDM4E (0.52) KDM4EL3MBTL1TDP1EGFRATM
SCHEMBL13972696 0.85 KDM4E (0.49) KDM4EL3MBTL1TDP1EGFRATM
SCHEMBL13576829 0.83 KDM4E (0.53) KDM4EL3MBTL1TDP1EGFRATM
SCHEMBL13441760 0.83 PKM (0.56) KDM4EL3MBTL1EGFRCA12CA1
SCHEMBL25285645 0.82 IAPP (0.51) KDM4EEGFRCA12CA1CA2
SCHEMBL30311288 0.82 AKR1B1 (0.61) KDM4EEGFRATMCA12CA1
SCHEMBL392976 0.82 AKR1B1 (0.61) KDM4EEGFRATMCA12CA1
SCHEMBL29503119 0.81 L3MBTL1 (0.68) KDM4EL3MBTL1TDP1ATMHPGD
SCHEMBL2981629 0.81 ALDH1A1 (0.50) KDM4EEGFRATMCA12CA1

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-20090069373-A1 Quinoline Acids WYETH (US) 2009-03-12 US disclosed
US-20090004485-A1 6-MEMBER RING STRUCTURE USED IN ELECTROLUMINESCENT DEVICES GLOBAL OLED TECHNOLOGY LLC 2009-01-01 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 (2 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-20090004485-A1 6-MEMBER RING STRUCTURE USED IN ELECTROLUMINESCENT DEVICES SOD1, SCO2, SOD3 KDM4E 1903/4885L3MBTL1 3673/4885TDP1 4286/4885
US-20090069373-A1 Quinoline Acids NR1H3, NR1H2, NR1H4 KDM4E 2746/4885L3MBTL1 2944/4885TDP1 4345/4885

“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.