SCHEMBL6096465

SCHEMBL6096465

COc1ccc2[nH]cc(C3=C(O)C(=O)C=C(O)C3=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.50
PDE4B Q07343 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
NR4A2 P43354 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
HTR6 P50406 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1D P28221 1/20 0.44

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
SCHEMBL6099085 0.84 KDM4E (0.44) NR4A2ALDH1A1MAPTKDM4EMEN1
SCHEMBL6095741 0.83 TSHR (0.40) KDRALDH1A1CYP1A2MAPTKDM4E
SCHEMBL6096063 0.82 RET (0.40) KDRCDK4CCND1ALDH1A1CYP1A2
SCHEMBL6099181 0.81 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL6096806 0.81 EGFR (0.44) KDRNR4A2CYP1A2GPR84HTR6
SCHEMBL6096745 0.81 F7 (0.44) NR4A2GPR84HTR6MAP3K14SLC6A4
SCHEMBL6096702 0.81 IGF1R (0.44) KDRALDH1A1KDM4EGPR84HTR6
SCHEMBL6097125 0.78 PRKCB (0.54) CDK4CCND1
SCHEMBL6096397 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7816070 0.76 CDK4 (0.78) KDRPDE4BCDK4CCND1NR4A2

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 KDR 4172/4885PDE4B 2264/4885CDK4 106/4885

“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.