SCHEMBL4572109

SCHEMBL4572109

COc1cc2c3c(cc(O)c2cc1SC)C(C)(C)c1ccccc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
KLK7 P49862 2/20 0.34
KLK14 Q9P0G3 2/20 0.34
KLK5 Q9Y337 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CTSG P08311 1/20 0.34
CTRC Q99895 1/20 0.34
EP300 Q09472 1/20 0.33
PARP1 P09874 2/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
MEN1 O00255 2/20 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
SCHEMBL15247981 1.00 PDK2 (0.34) PDK2KMT2AGAAHPGDALDH1A1
SCHEMBL30125362 0.89 PDK2 (0.40) PDK2KMT2AGAAHPGDALDH1A1
SCHEMBL165110 0.89 PDK2 (0.40) PDK2KMT2AGAAHPGDALDH1A1
SCHEMBL15247955 0.89 MLNR (0.33) PDK2L3MBTL1
SCHEMBL15247945 0.87
SCHEMBL2200232 0.86 PDK2 (0.41) PDK2KMT2AGAAHPGDALDH1A1
SCHEMBL30104202 0.86 PDK2 (0.41) PDK2KMT2AGAAHPGDALDH1A1
SCHEMBL26629618 0.85 GAA (0.34) PDK2KMT2AGAAHPGDALDH1A1
SCHEMBL15906491 0.85 AR (0.34) PDK2KMT2APARP1PTPN1AR
SCHEMBL4572100 0.85 PARP1 (0.31) PDK2KMT2AGAAHPGDALDH1A1

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-8308996-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2012-11-13 US disclosed
US-20120121934-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-05-17 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-20120121934-A1 CHROMENE COMPOUND TST, CNOT1, CNOT9 PDK2 2443/4885KMT2A 671/4885GAA 4851/4885

“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.