SCHEMBL4261807

SCHEMBL4261807

CCOC(=O)C=Cc1ccc(C(=C2CCCCC2)c2ccc(O)c(C)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ESR1 P03372 8/20 0.49
CYP3A4 P08684 1/20 0.48
MAOB P27338 1/20 0.46
ESR2 Q92731 4/20 0.46
APP P05067 5/20 0.40
PTGS2 P35354 1/20 0.38
FDPS P14324 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
SCHEMBL4261799 1.00 TTR (0.50) TTRDPP4CA12CA1CA2
SCHEMBL4258692 0.88 TTR (0.48) TTRDPP4CA12CA1CA2
SCHEMBL4258686 0.88 TTR (0.48) TTRDPP4CA12CA1CA2
SCHEMBL3468240 0.87 ESR1 (0.48) TTRDPP4CA12CA1CA2
SCHEMBL3468237 0.87 ESR1 (0.48) TTRDPP4CA12CA1CA2
SCHEMBL4254772 0.86 CA12 (0.57) TTRDPP4CA12CA1CA2
SCHEMBL4254766 0.86 CA12 (0.57) TTRDPP4CA12CA1CA2
SCHEMBL4258005 0.85 TTR (0.55) TTRDPP4CA12CA1CA2
SCHEMBL4257997 0.85 TTR (0.55) TTRDPP4CA12CA1CA2
SCHEMBL4257987 0.82 CA12 (0.53) TTRDPP4CA12CA1CA2

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 TTR 4866/4885DPP4 1371/4885CA12 2173/4885

“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.