SCHEMBL12377747

SCHEMBL12377747

CC(C)C(=O)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.51
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.47
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
MYC P01106 1/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.44
DBH P09172 1/20 0.44
RECQL P46063 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 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
SCHEMBL12377745 0.89 AKR1C3 (0.49) KDM4EHSD17B10CDC25ACDC25BPOLB
SCHEMBL27852586 0.86 KDM4E (0.56) ACE2KDM4EHSD17B10CDC25ACDC25B
SCHEMBL20135164 0.85 GRM1 (0.50) ACE2KDM4EHSD17B10MYCTDP1
SCHEMBL21729769 0.82 KDM4E (0.59) ACE2KDM4EHSD17B10CDC25ACDC25B
SCHEMBL5432556 0.81 LMNA (0.50) ACE2KDM4EMYCGAADBH
SCHEMBL12377744 0.81 AKR1C3 (0.49) KDM4EHSD17B10CDC25ACDC25BPOLB
Methyl Alcohol SCHEMBL29156163 0.81 KDM4E (0.64) ACE2KDM4EHSD17B10CDC25ACDC25B
SCHEMBL23279 0.81 KDM4E (0.69) ACE2KDM4EHSD17B10CDC25ACDC25B
SCHEMBL30163040 0.81 KDM4E (0.69) ACE2KDM4EHSD17B10CDC25ACDC25B
SCHEMBL29350135 0.81 KDM4E (0.69) ACE2KDM4EHSD17B10CDC25ACDC25B

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-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
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 ACE2 2343/4885KDM4E 1182/4885HSD17B10 296/4885

“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.