SCHEMBL7086040

SCHEMBL7086040

O=CC=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.65
CDK1 P06493 2/20 0.65
CDK4 P11802 2/20 0.65
CCNB1 P14635 2/20 0.65
CCND1 P24385 2/20 0.65
CCNB3 Q8WWL7 2/20 0.65
LMNA P02545 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GSK3B P49841 1/20 0.53
APP P05067 5/20 0.53
ALDH1A1 P00352 4/20 0.53
THRB P10828 1/20 0.53
POLB P06746 1/20 0.52
UBE2N P61088 1/20 0.52
KMT2A Q03164 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
AKR1C3 P42330 1/20 0.52
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL5702554 0.92 APP (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5702556 0.92 APP (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4623828 0.92 PDCD1 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4623825 0.92 PDCD1 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6735912 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7265006 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6735911 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7264998 0.87 CDK4 (0.60) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL7089735 0.85 CCNB2 (0.63) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL29446267 0.84 TACR2 (0.62) LMNAKDM4EGSK3BAPPALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4372976-A TERTIARY-BUTYL (3,4-DIBENZYLOXY)STYRYL KETONE STERLING DRUG INC. (US) 1983-02-08 US claimed
US-6649784-B2 Reductive alkylation of aspartame with aldehyde AJINOMOTO CO., INC. (JP) 2003-11-18 US disclosed
US-20030065210-A1 Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO CO. INC. (JP) 2003-04-03 US disclosed
US-4372976-A TERTIARY-BUTYL (3,4-DIBENZYLOXY)STYRYL KETONE STERLING DRUG INC. (US) 1983-02-08 US disclosed
US-4372976-A TERTIARY-BUTYL (3,4-DIBENZYLOXY)STYRYL KETONE STERLING DRUG INC. (US) 1983-02-08 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-20030065210-A1 Aspartyl dipeptide ester derivatives and sweeteners DNPEP, DPP4, DPP3 CCNB2 4728/4885CDK1 4153/4885CDK4 1817/4885

“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.