SCHEMBL12377745

SCHEMBL12377745

CC(=O)c1ccc(C(=O)C(C)C)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.49
AKR1C2 P52895 16/20 0.49
AKR1B10 O60218 2/20 0.47
AKR1B1 P15121 2/20 0.47
AKR1C4 P17516 2/20 0.47
AKR1C1 Q04828 2/20 0.47
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DBH P09172 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL12377744 0.93 AKR1C3 (0.49) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL24497178 0.91 KDM4E (0.46) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL12377747 0.89 ACE2 (0.51) CDC25ACDC25BHSD17B10ALDH1A1POLB
SCHEMBL21729726 0.89 KDM4E (0.44) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL22548736 0.85 KDM4E (0.44) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL7823608 0.85 CDC25A (0.59) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL16261358 0.83 AKR1C3 (0.57) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL21729769 0.79 KDM4E (0.59) CDC25ACDC25BHSD17B10ALDH1A1TDP1
SCHEMBL4623376 0.79 AKR1C3 (0.57) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL20630946 0.79 RECQL (0.42) CDC25ACDC25BHSD17B10ALDH1A1POLB

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 AKR1C3 1396/4885AKR1C2 1677/4885AKR1B10 1074/4885

“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.