SCHEMBL4568633

SCHEMBL4568633

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
GSK3B P49841 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MDM2 Q00987 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDK2 Q15119 1/20 0.32
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL4568638 0.87 PDK2 (0.34) CDK4CCND1GSK3BALDH1A1KDM4E
SCHEMBL30125362 0.73 PDK2 (0.40) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL165110 0.73 PDK2 (0.40) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL4568630 0.73 PARP1 (0.31) PDK2
SCHEMBL18351750 0.72 PDK2 (0.40) ALDH1A1KDM4ELMNAMDM2SMN1; SMN2
SCHEMBL30104202 0.71 PDK2 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2PDK2
SCHEMBL2200232 0.71 PDK2 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2PDK2
SCHEMBL12635549 0.69 ESR1 (0.32)
SCHEMBL4568684 0.68 MLNR (0.30)
SCHEMBL4568713 0.68 ALOX5AP (0.38)

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 CDK4 883/4885CCND1 288/4885GSK3B 4510/4885

“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.