SCHEMBL6521169

SCHEMBL6521169

O=C(O)C1Oc2cc3cc[nH]c3cc2O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
CASP6 P55212 1/20 0.59
ENPP2 Q13822 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
PTPRE P23469 1/20 0.40
PTPN6 P29350 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
TYR P14679 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
RAD51 Q06609 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11727942 0.74 POLB (1.00) POLBCASP6KDM4EALDH1A1HPGD
SCHEMBL6517765 0.71 POLB (0.40) POLBCASP6
SCHEMBL3972506 0.68 GPR84 (0.37) POLBENPP2KDM4EALDH1A1HPGD
Bicarbonate SCHEMBL4385266 0.67 ENPP2 (0.53) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29755838 0.67 GPR84 (0.47) POLBENPP2KDM4EALDH1A1HPGD
SCHEMBL3905543 0.67 GPR84 (0.47) POLBENPP2KDM4EALDH1A1HPGD
SCHEMBL612104 0.67 GPR84 (0.47) POLBENPP2KDM4EALDH1A1HPGD
SCHEMBL6422791 0.67 PTPRC (0.63) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8692210 0.67 ALDH1A1 (0.49) POLBCASP6ENPP2KDM4EALDH1A1
SCHEMBL2530865 0.66 GPR84 (0.67) POLBENPP2KDM4EALDH1A1HPGD

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 1 patent. 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

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 821/4885ENPP2 3900/4885

“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.