SCHEMBL5582161

SCHEMBL5582161

Cc1c(N)ccc2c1CC1(Cc3ccccc3)CCC(=O)C=C21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.60
ESR2 Q92731 10/20 0.57
NR3C1 P04150 6/20 0.41
CYP19A1 P11511 2/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL5582424 0.81 ESR2 (0.54) ESR1ESR2NR3C1
SCHEMBL5726968 0.80 ESR2 (0.61) ESR1ESR2
SCHEMBL5582352 0.77 ESR1 (0.52) ESR1ESR2
SCHEMBL14547497 0.75 ESR1 (1.00) ESR1ESR2
SCHEMBL5582360 0.74 ESR2 (0.72) ESR1ESR2NR3C1
SCHEMBL5582428 0.73 ESR2 (1.00) ESR1ESR2NR3C1
SCHEMBL5582282 0.68 ESR1 (0.66) ESR1ESR2
SCHEMBL2418440 0.66 ESR2 (0.65) ESR1ESR2
SCHEMBL10492685 0.65 MAOA (0.39) ESR1ESR2NR3C1BACE1
SCHEMBL11111852 0.65 ESR2 (0.56) ESR1ESR2NR3C1

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 280/4885NR3C1 1021/4885

“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.