SCHEMBL12377739

SCHEMBL12377739

Cc1c(O)cc(C(=O)C(C)C)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
GAA P10253 3/20 0.61
DBH P09172 1/20 0.61
RECQL P46063 1/20 0.61
FFAR1 O14842 1/20 0.48
ACHE P22303 1/20 0.44
CYP3A4 P08684 1/20 0.38
CA12 O43570 6/20 0.37
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA7 P43166 6/20 0.37
CA9 Q16790 6/20 0.37
CA14 Q9ULX7 6/20 0.37
LMNA P02545 2/20 0.34
FUT7 Q11130 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL6357899 0.84 KDM4E (0.63) KDM4EGAADBHRECQLFFAR1
SCHEMBL17718140 0.81 KDM4E (0.55) KDM4EGAADBHRECQLFFAR1
SCHEMBL22889592 0.80 KDM4E (0.59) KDM4EGAADBHRECQLFFAR1
SCHEMBL9962964 0.80 GAA (0.56) KDM4EGAADBHRECQLFFAR1
SCHEMBL12088398 0.79 KDM4E (0.47) KDM4EGAADBHRECQLFFAR1
SCHEMBL15631135 0.77 KDM4E (0.55) KDM4EGAADBHRECQLFFAR1
SCHEMBL16256439 0.76 KDM4E (0.54) KDM4EGAADBHRECQLFFAR1
SCHEMBL7507075 0.76 TPMT (0.54) KDM4EGAADBHRECQLFFAR1
SCHEMBL8471397 0.76 KDM4E (1.00) KDM4EGAADBHRECQLFFAR1
SCHEMBL22889639 0.75 GAA (0.53) KDM4EGAADBHRECQLFFAR1

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-8969303-B2 Tocotrienol esters FIRST TECH INTERNATIONAL LIMITED (CN) 2015-03-03 US disclosed
US-20110196030-A1 TOCOTRIENOL ESTERS FIRST TECH INTERNATIONAL LIMITED (CN) 2011-08-11 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-20110196030-A1 TOCOTRIENOL ESTERS TTPA, MBOAT1, TBXAS1 KDM4E 1182/4885GAA 3587/4885DBH 2908/4885

“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.