SCHEMBL6096689

SCHEMBL6096689

CC(C)(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
HPGD P15428 3/20 0.40
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 7/20 0.35
TDP1 Q9NUW8 2/20 0.35
DAO P14920 1/20 0.35
DDO Q99489 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
G6PD P11413 1/20 0.35

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) HPGDCCR6HKDC1KDM4ETDP1
SCHEMBL6093878 0.80 PTPRC (0.54) HPGDPTPRCKDM4ETDP1MAPT
SCHEMBL6095875 0.80 XIAP (0.41) HPGDCCR6HKDC1KDM4ETDP1
SCHEMBL6094612 0.80 KDM4E (0.40) HPGDCCR6HKDC1PTPRCKDM4E
SCHEMBL6096623 0.78 ALDH1A1 (0.39) HPGDCCR6HKDC1PTPRCKDM4E
SCHEMBL6094828 0.76 NPC1 (0.38) HPGDKDM4ETDP1MAPTMEN1
SCHEMBL6095918 0.75 TSHR (0.38) HPGDCCR6HKDC1KDM4ETDP1
SCHEMBL6097547 0.74 CCR6 (0.39) HPGDCCR6HKDC1CHRNB2CHRNA7
SCHEMBL8601530 0.74 MEN1 (0.39) HPGDCCR6HKDC1PTPRCKDM4E
SCHEMBL30935408 0.73 CHRNB2 (0.47) HPGDCCR6HKDC1CHRNB2CHRNA7

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 HPGD 64/4885CCR6 4533/4885HKDC1 2099/4885

“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.