SCHEMBL6517765

SCHEMBL6517765

O=C(O)C1Oc2ccc3[nH]ccc3c2O1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
PARP1 P09874 1/20 0.32

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
SCHEMBL6521169 0.71 POLB (0.59) POLBCASP6
SCHEMBL6876168 0.70 MAPK1 (0.38) POLB
SCHEMBL7466700 0.69 HTR1A (0.48) DRD2HTR1ADRD4DRD3
SCHEMBL7466691 0.69 HTR1A (0.48) DRD2HTR1ADRD4DRD3
SCHEMBL11437391 0.68 AHR (0.39) DRD2DRD4DRD3PARP1
SCHEMBL3978773 0.67 POLB (0.44) POLBCASP6
SCHEMBL6876166 0.67 HTR1A (0.33) DRD2HTR1APARP1
SCHEMBL32669418 0.64 TTBK1 (0.40) POLBDRD2HTR1APARP1
SCHEMBL1292158 0.64 POLB (0.49) POLBCASP6
SCHEMBL27392332 0.64 POLB (0.49) POLBCASP6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 WO 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK POLB 944/4885CASP6 821/4885DRD2 752/4885

“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.