SCHEMBL4568638

SCHEMBL4568638

COc1cc2c(O)cc3c(c2cc1CS)-c1ccccc1C3(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
EP300 Q09472 1/20 0.33
PARP1 P09874 2/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
GSK3B P49841 1/20 0.32
PTPN1 P18031 1/20 0.31
HPGD P15428 1/20 0.31
EGFR P00533 1/20 0.31
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
RECQL P46063 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL165110 0.88 PDK2 (0.40) PDK2MEN1KMT2AEP300PARP1
SCHEMBL30125362 0.88 PDK2 (0.40) PDK2MEN1KMT2AEP300PARP1
SCHEMBL4568633 0.87 CDK4 (0.36) PDK2CDK4CCND1GSK3BHPGD
SCHEMBL30104202 0.85 PDK2 (0.41) PDK2MEN1KMT2AEP300PARP1
SCHEMBL2200232 0.85 PDK2 (0.41) PDK2MEN1KMT2AEP300PARP1
SCHEMBL4568630 0.85 PARP1 (0.31) PDK2MEN1KMT2APARP1
SCHEMBL4568684 0.81 MLNR (0.30) MLNRNR1I2CHRM2ADRB1HTR1A
SCHEMBL12635549 0.81 ESR1 (0.32) MEN1KMT2APARP1ESR1ESR2
SCHEMBL15247981 0.80 PDK2 (0.34) PDK2MEN1KMT2AEP300PARP1
SCHEMBL4572109 0.80 PDK2 (0.34) PDK2MEN1KMT2AEP300PARP1

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 2443/4885MEN1 3409/4885KMT2A 671/4885

“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.