SCHEMBL6488003

SCHEMBL6488003

CC(=O)OC1/C=C\C[C]Cc2ccccc2CC1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
NSD2 O96028 1/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
CRHR1 P34998 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC18A3 Q16572 2/20 0.31
DYRK1A Q13627 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
BCHE P06276 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
SCHEMBL6492063 0.88 GABRA1 (0.39) GABRA1GABRB2POLBGAACRHR1
SCHEMBL6492513 0.80 NSD2 (0.32) NSD2HK1HKDC1
SCHEMBL6488001 0.78 GABRA1 (0.39) GABRA1GABRB2NSD2HK1HKDC1
SCHEMBL6480327 0.76 FABP7 (0.35) GABRA1GABRB2POLBMTNR1AMTNR1B
SCHEMBL6480617 0.74 GABRA1 (0.32) GABRA1GABRB2POLBMTNR1AMTNR1B
SCHEMBL6489783 0.73 NSD2 (0.30) NSD2HK1HKDC1
SCHEMBL26148676 0.68 GABRA1 (0.47) GABRA1GABRB2POLBGAAKDM4E
SCHEMBL6492062 0.68 GABRA1 (0.39) GABRA1GABRB2POLBGAACRHR1
SCHEMBL30829053 0.67 MTNR1A (0.51) GABRA1GABRB2POLBGAAKDM4E
SCHEMBL26148675 0.66 GABRA1 (0.45) GABRA1GABRB2POLBGAACRHR1

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-20050288238-A1 Benzocyclodecane derivatives with antitumor activity PFIZER INC 2005-12-29 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-20050288238-A1 Benzocyclodecane derivatives with antitumor activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OR10J3, BCL6 GABRA1 1090/4885GABRB2 1427/4885NSD2 2322/4885

“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.