SCHEMBL29307110

SCHEMBL29307110

O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.48
▸ MAPK13 O15264 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ BCAT2 O15382 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C8 P10632 2/20 0.42
▸ CDC25B P30305 2/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13423248 0.91 PDK2 (0.43) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL13423255 0.91 PDK2 (0.43) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL4237494 0.87 CDC25B (0.58) PDK2CYP2C8CDC25BCDC25AHSD17B10
SCHEMBL29114 0.84 PDK2 (0.58) PDK2ATMTHRBTDP1
SCHEMBL134285 0.84 PDK2 (0.58) PDK2ATMTHRBTDP1
SCHEMBL134286 0.84 PDK2 (0.58) PDK2ATMTHRBTDP1
SCHEMBL14096680 0.83 ALDH1A1 (0.40) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1638586 0.83 CYP2C8 (0.43) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL10227419 0.83 CYP2C8 (0.46) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL133477 0.83 PDK2 (0.66) PDK2MAPK13MAPK12MAPK11MAPK14

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-20240228523-A1 Metal complexes UDC IRELAND LTD (IE) 2024-07-11 — — 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-20240228523-A1 Metal complexes MCU, IMMT, SOD1 PDK2 2377/4885MAPK13 4708/4885MAPK12 4288/4885

“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.

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