SCHEMBL19797301

SCHEMBL19797301

Brc1cccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4ccccc34)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
PDK2 Q15119 11/20 0.38
BIRC5 O15392 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
PGR P06401 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL19822234 1.00 TDP2 (0.40) TDP2PDK2BIRC5CA12CA1
SCHEMBL19151960 0.92 PDK2 (0.38) PDK2CA12CA1CA2CA9
SCHEMBL19822213 0.92 PDK2 (0.37) PDK2CA12CA1CA2CA9
SCHEMBL19797298 0.92 PDK2 (0.37) PDK2CA12CA1CA2CA9
SCHEMBL19822254 0.91 TDP2 (0.40) TDP2PDK2BIRC5CA12CA1
SCHEMBL19797317 0.91 TDP2 (0.40) TDP2PDK2BIRC5CA12CA1
SCHEMBL19797302 0.86 PDK2 (0.36) PDK2CA12CA1CA2CA9
SCHEMBL19822208 0.86 TDP2 (0.38) TDP2PDK2BIRC5CA12CA1
SCHEMBL19822241 0.86 PDK2 (0.36) PDK2CA12CA1CA2CA9
SCHEMBL19797290 0.86 TDP2 (0.38) TDP2PDK2BIRC5CA12CA1

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-20180026187-A1 NOVEL COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD. (KR) 2018-01-25 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-20180026187-A1 NOVEL COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE COMPRISING SAME EBPL, OR51E2, EML4 TDP2 2966/4885PDK2 1847/4885BIRC5 3066/4885

“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.