SCHEMBL6492097

SCHEMBL6492097

CC(=O)OC1[C]Cc2ccccc2CC(OC(C)=O)C/C=C\1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
FABP7 O15540 2/20 0.33
FABP5 Q01469 2/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
IDO1 P14902 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FABP3 P05413 1/20 0.32
ACHE P22303 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6492257 0.87 IDO1 (0.34) TSHRKMT2AFABP7FABP5MTNR1A
SCHEMBL6479646 0.80 ALDH1A1 (0.30) ALDH1A1ESR1HSD17B10
SCHEMBL6480327 0.79 FABP7 (0.35) TSHRKMT2AFABP7FABP5MTNR1A
SCHEMBL6481758 0.77 FABP7 (0.33) TSHRKMT2AFABP7FABP5MTNR1A
SCHEMBL6492090 0.75 TSHR (0.34) TSHRKMT2AFABP7FABP5MTNR1A
SCHEMBL6492254 0.75 TSHR (0.34) TSHRKMT2AFABP7FABP5MTNR1A
SCHEMBL1196934 0.75 FABP7 (0.50) TSHRKMT2AFABP7FABP5MTNR1A
SCHEMBL30493000 0.75 FABP7 (0.50) TSHRKMT2AFABP7FABP5MTNR1A
SCHEMBL6491871 0.73
SCHEMBL6480324 0.72 FABP7 (0.35) TSHRKMT2AFABP7FABP5MTNR1A

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 TSHR 1124/4885KMT2A 3491/4885FABP7 3581/4885

“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.