SCHEMBL9979778

SCHEMBL9979778

Oc1cc2cc3nc(O)c(O)cc3cc2nc1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.33
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 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
SCHEMBL9979783 0.92 EGFR (0.33) KDM4EALDH1A1GAAHPGDSTAT3
SCHEMBL9979787 0.92 KDM4E (0.32) KDM4EALDH1A1GAAHPGDSTAT3
SCHEMBL9979789 0.90 EGFR (0.36) KDM4EEGFRPDGFRBPDGFRA
SCHEMBL15581101 0.86 TERT (0.39) KDM4EALDH1A1GAAHPGDSTAT3
SCHEMBL15581099 0.82 TERT (0.41) KDM4EALDH1A1GAAHPGDSTAT3
SCHEMBL15581102 0.79 HPGD (0.52) KDM4EALDH1A1GAAHPGDSTAT3
SCHEMBL15581103 0.78 TERT (0.41) KDM4EALDH1A1HPGD
SCHEMBL9979793 0.77 NQO1 (0.36) KDM4EALDH1A1GAA
SCHEMBL9979788 0.76 EGFR (0.34) EGFRPDGFRBPDGFRA
SCHEMBL8872919 0.74 KDM4E (0.47) KDM4EALDH1A1GAAHPGDSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9978474-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-22 US disclosed
US-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS UNITED STATES DEPARTMENT OF ENERGY 2016-08-25 US disclosed
US-9269473-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-23 US disclosed
WO-2012082213-A2 CONDUCTIVE OPEN FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 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-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS GJB2, OR10J3, EPCAM KDM4E 2184/4885ALDH1A1 2894/4885GAA 4306/4885

“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.