SCHEMBL9928254

SCHEMBL9928254

COc1cc2c(OCc3ccccc3)cc(I)c(-c3ccccc3)c2c2c1OC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.39
CDK5R1 Q15078 4/20 0.39
CDK1 P06493 4/20 0.39
CCNB1 P14635 4/20 0.39
GSK3B P49841 4/20 0.38
MAOB P27338 1/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
APP P05067 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL9943148 0.88 BCHE (0.34) FFAR4PTPN1
SCHEMBL9928251 0.88 CDK5 (0.38) CDK5CDK5R1CDK1CCNB1GSK3B
SCHEMBL9928252 0.85 CDK5 (0.39) CDK5CDK5R1CDK1CCNB1GSK3B
SCHEMBL9928255 0.83 CDK5 (0.37) CDK5CDK5R1CDK1CCNB1GSK3B
SCHEMBL9943147 0.79 CDK5 (0.33) CDK5CDK5R1CDK1CCNB1GSK3B
SCHEMBL25837233 0.75 CTSV (0.46) CDK5CDK5R1CDK1CCNB1GSK3B
SCHEMBL9943104 0.74 FFAR4 (0.37) NPC1RAB9AFFAR4KMT2A
SCHEMBL9928253 0.74 ALDH1A1 (0.35) CDK5CDK5R1CDK1CCNB1GSK3B
SCHEMBL9928249 0.72 FFAR4 (0.38) FFAR4KMT2A
SCHEMBL9943124 0.72 FFAR4 (0.32) FFAR4

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-20120145974-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2012-06-14 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-20120145974-A1 CHROMENE COMPOUND CRY2, CYP2J2, NR0B2 CDK5 765/4885CDK5R1 299/4885CDK1 57/4885

“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.