SCHEMBL4252407

SCHEMBL4252407

CC/C(=C\C(=O)O)c1ccc(C(=C2CC(C)(C)OC(C)(C)C2)c2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
P4HB P07237 1/20 0.33
PDPK1 O15530 2/20 0.32
ESR1 P03372 1/20 0.32
CA2 P00918 1/20 0.31
RARB P10826 1/20 0.31
RXRA P19793 1/20 0.31
PTGS1 P23219 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
SCHEMBL4255138 0.88 HSP90AA1 (0.39) HSP90AA1HSP90AB1OPRM1OPRD1OPRK1
SCHEMBL4259314 0.87 SNCA (0.33) P4HBPDPK1ESR1RARBRXRA
SCHEMBL4261790 0.87 ESR1 (0.44) OPRM1OPRD1OPRK1ESR1CA2
SCHEMBL4252411 0.82 HSP90AA1 (0.36) HSP90AA1HSP90AB1OPRM1OPRD1OPRK1
SCHEMBL4255125 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1OPRM1OPRD1OPRK1
SCHEMBL4257160 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1OPRM1OPRD1OPRK1
SCHEMBL3468102 0.82 PTPN11 (0.41) ESR1CA2RXRA
SCHEMBL3468103 0.82 PTPN11 (0.41) ESR1CA2RXRA
SCHEMBL3468242 0.78 LMNA (0.37) HSP90AA1HSP90AB1ESR1
SCHEMBL4252409 0.77 TTR (0.48) ESR1CA2

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 HSP90AA1 2233/4885HSP90AB1 1255/4885OPRM1 211/4885

“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.