SCHEMBL6094612

SCHEMBL6094612

CC(C)c1[nH]c2ccccc2c1C1=C(O)C(=O)C=C(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NLRP3 Q96P20 1/20 0.40
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PTPRC P08575 1/20 0.37
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL6110147 0.83 CCR6 (0.51) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL6093878 0.80 PTPRC (0.54) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL6096689 0.80 HPGD (0.40) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL6095875 0.80 XIAP (0.41) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6096623 0.78 ALDH1A1 (0.39) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL6094828 0.76 NPC1 (0.38) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6095918 0.75 TSHR (0.38) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL6096055 0.74 PTPRC (0.37) KDM4EKMT2AMEN1SMN1; SMN2NLRP3
SCHEMBL8601530 0.74 MEN1 (0.39) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6097125 0.69 PRKCB (0.54) PTPRCCCNB2CDK1CDK4CCNB1

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-7057052-B2 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY (US) 2006-06-06 US disclosed
WO-2004050014-A2 SETEROCYCLIC QUINONES AS PHARMACEUTICAL AGENTS DUKE UNIVERSITY (US) 2004-06-17 WO disclosed
US-20040063774-A1 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY 2004-04-01 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 (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-20040063774-A1 Heterocyclic quinones as pharmaceutical agents NQO1, RECQL, SDHA KDM4E 2246/4885KMT2A 2003/4885MEN1 726/4885

“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.