SCHEMBL9946076

SCHEMBL9946076

CB(C)c1cccc(OCc2ccccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
ACHE P22303 1/20 0.47
MAOB P27338 2/20 0.47
SLC26A4 O43511 1/20 0.43
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PTGER4 P35408 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL15332443 0.86 CCNB2 (0.52) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL12183099 0.80 CCNB2 (0.58) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL16886114 0.79 CCNB2 (0.57) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL9946047 0.79 MAOB (0.62) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL31172168 0.78 MAOB (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL4638503 0.78 MAOB (0.60) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL8264422 0.77 MAOB (0.64) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL9946045 0.76 MAOB (0.64) MAOBNPC1RAB9A
Hydrochloric Acid SCHEMBL23235866 0.76 MAOB (0.62) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL13183547 0.75 CCNB2 (0.53) CDK4CCND1CCNB2CDK1CCNB1

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CDK4 2582/4885CCND1 4722/4885CCNB2 3797/4885

“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.