SCHEMBL4252385

SCHEMBL4252385

CC1(C)CCC(=C(c2ccc(O)cc2)c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.46
ESR2 Q92731 4/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
TYR P14679 1/20 0.44
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
F3 P13726 2/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
P4HB P07237 1/20 0.39
CALM1 P0DP23 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XDH P47989 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4252392 1.00 ESR1 (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL4259421 0.88 ESR1 (0.58) ESR1ESR2CA12CA1CA2
SCHEMBL4259416 0.88 ESR1 (0.58) ESR1ESR2CA12CA1CA2
SCHEMBL4258948 0.87 ESR1 (0.60) ESR1ESR2CA12CA1CA2
SCHEMBL4257432 0.87 ESR1 (0.60) ESR1ESR2CA12CA1CA2
SCHEMBL4258952 0.87 ESR1 (0.60) ESR1ESR2CA12CA1CA2
SCHEMBL4257437 0.87 ESR1 (0.60) ESR1ESR2CA12CA1CA2
SCHEMBL4260682 0.85 ESR1 (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL4260678 0.85 ESR1 (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL3468448 0.83 ESR1 (0.55) ESR1ESR2CA12CA1CA2

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 ESR1 3/4885ESR2 2/4885CA12 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.