SCHEMBL5582290

SCHEMBL5582290

COc1ccc2c(c1)CC1(Cc3ccc(Cl)cc3)CCC(=O)C(c3ccc(OCCN4CCCCC4)cc3)=C21

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.84
ESR2 Q92731 8/20 0.84
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 3/20 0.44
LTA4H P09960 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL5582312 0.92 ESR1 (1.00) ESR1ESR2
SCHEMBL5582338 0.85 ESR1 (0.61) ESR1ESR2MAOB
SCHEMBL2417053 0.85 ESR2 (0.62) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL5582427 0.84 ESR1 (0.68) ESR1ESR2
SCHEMBL2418189 0.78 ESR2 (0.75) ESR1ESR2
Hydrochloric Acid SCHEMBL2419390 0.78 ESR2 (0.74) ESR1ESR2
SCHEMBL2422287 0.77 ESR2 (0.74) ESR1ESR2
Hydrochloric Acid SCHEMBL2418710 0.77 ESR2 (0.73) ESR1ESR2
SCHEMBL5582320 0.76 ESR1 (0.59) ESR1ESR2
SCHEMBL2424862 0.75 ESR2 (0.70) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
EP-1680447-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-07-19 EP disclosed
WO-2005040212-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-05-06 WO 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-20070087346-A1 Orthogonal gene switches TCF12, JUN, TCF7 ESR1 329/4885ESR2 280/4885EBP 252/4885

“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.