SCHEMBL6096745

SCHEMBL6096745

O=C1C=C(O)C(=O)C(c2c[nH]c3ccc(Cl)cc23)=C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
HTR2A P28223 1/20 0.40
MAP3K14 Q99558 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
NR4A2 P43354 1/20 0.40
POLB P06746 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
SLC6A4 P31645 1/20 0.38
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
CAMK2D Q13557 1/20 0.37

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
SCHEMBL6096484 0.90 IDH1 (0.41) GPR84NR4A2SLC6A4IDO1PTPN1
SCHEMBL6095741 0.86 TSHR (0.40) HTR2ASLC6A4MTORHTR1AHTR7
SCHEMBL6096806 0.84 EGFR (0.44) HTR2AGPR84NR4A2SLC6A4ATP4A
SCHEMBL6096702 0.84 IGF1R (0.44) MAP3K14GPR84SLC6A4ATP4AATP4B
SCHEMBL6099085 0.84 KDM4E (0.44) HTR2ANR4A2SLC6A4ATP4AATP4B
SCHEMBL6096465 0.81 KDR (0.50) MAP3K14GPR84NR4A2SLC6A4HTR1A
SCHEMBL6097125 0.81 PRKCB (0.54) CAMK2DPTPN1
SCHEMBL6094665 0.76 NR4A2 (0.41) HTR2ANR4A2ATP4AATP4BCAMK2D
SCHEMBL6095097 0.76 TDO2 (0.46) IDO1
SCHEMBL6094700 0.76 IMPDH2 (0.45) CAMK2DIDO1PTPN1

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 F7 4650/4885F3 4237/4885HTR2A 1843/4885

“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.