SCHEMBL4259404

SCHEMBL4259404

CCOC(=O)C=Cc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.64
CA7 P43166 4/20 0.64
CA9 Q16790 4/20 0.64
CA14 Q9ULX7 4/20 0.64
CA1 P00915 3/20 0.64
CA2 P00918 2/20 0.64
ESR1 P03372 9/20 0.60
CYP3A4 P08684 1/20 0.48
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
MAOB P27338 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
MET P08581 1/20 0.44
TYR P14679 1/20 0.44

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
SCHEMBL4259398 1.00 CA12 (0.64) CA12CA7CA9CA14CA1
SCHEMBL4261789 0.88 CA12 (0.62) CA12CA7CA9CA14CA1
SCHEMBL4264960 0.87 CYP3A4 (0.50) CA12CA7CA9CA14CA1
SCHEMBL4255135 0.87 TTR (0.49) CA12CA7CA9CA14CA1
SCHEMBL4264973 0.87 CYP3A4 (0.50) CA12CA7CA9CA14CA1
SCHEMBL4255141 0.87 TTR (0.49) CA12CA7CA9CA14CA1
SCHEMBL3467812 0.83 ESR1 (0.55) CA12CA7CA9CA14CA1
SCHEMBL3467807 0.83 ESR1 (0.55) CA12CA7CA9CA14CA1
SCHEMBL3468528 0.82 ESR1 (0.54) ESR1MAOBTYRESR2
SCHEMBL3468530 0.82 ESR1 (0.54) ESR1MAOBTYRESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 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-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 CA12 2173/4885CA7 3432/4885CA9 2802/4885

“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.