SCHEMBL4259402

SCHEMBL4259402

CC/C(=C\C(=O)O)c1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.45
ESR2 Q92731 8/20 0.42
OPRM1 P35372 5/20 0.34
OPRD1 P41143 5/20 0.34
PGR P06401 2/20 0.33
PTGS1 P23219 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B3 P37058 2/20 0.32
PTGS2 P35354 2/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
NR3C1 P04150 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL4261790 0.86 ESR1 (0.44) ESR1ESR2OPRM1OPRD1PGR
SCHEMBL4255138 0.86 HSP90AA1 (0.39) ESR1OPRM1OPRD1PTGS1SLC6A2
SCHEMBL4264968 0.86 SNCA (0.34) ESR1ESR2OPRM1OPRD1LMNA
SCHEMBL10350158 0.81 ESR1 (0.56) ESR1ESR2OPRM1OPRD1PGR
Gsk-232802 SCHEMBL3467757 0.80 ESR1 (0.55) ESR1OPRM1PGRALDH1A1KMT2A
SCHEMBL3468408 0.79 ESR1 (0.56) ESR1ESR2OPRM1OPRD1PGR
SCHEMBL4259406 0.78 ESR1 (0.43) ESR1ESR2OPRM1PGRALDH1A1
SCHEMBL3467812 0.77 ESR1 (0.55) ESR1ESR2PGRALDH1A1MAPT
SCHEMBL3467807 0.77 ESR1 (0.55) ESR1ESR2PGRALDH1A1MAPT
SCHEMBL3468569 0.77 ESR1 (0.59) ESR1ESR2OPRM1OPRD1MAPT

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 2/4885OPRM1 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.